UCSF

ZINC30781671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 25 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) 3.69 9.25 -12.89 2 5 0 75 328.375 3
Lo Low (pH 4.5-6) 3.24 10.97 -52.84 3 5 1 76 329.383 2

Activity (Go SEA)

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