UCSF

ZINC09088498

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 3.55 -11.34 3 6 0 91 322.368 4
Ref Reference (pH 7) 2.07 3.64 -11.89 3 6 0 91 322.368 4
Hi High (pH 8-9.5) 2.07 4.25 -41.02 2 6 -1 94 321.36 4
Hi High (pH 8-9.5) 1.64 4.58 -49.86 1 6 -1 90 321.36 4
Lo Low (pH 4.5-6) 1.64 4.25 -41.83 3 6 1 88 323.376 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )