UCSF

ZINC09312011

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 31 No

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) 2.81 7.33 -61.03 0 7 -1 88 422.457 7
Lo Low (pH 4.5-6) 2.81 6.51 -15.88 1 7 0 85 423.465 7

Activity (Go SEA)

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