UCSF

ZINC36613158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 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) 2.29 7.85 -74.7 2 7 0 94 428.46 8
Lo Low (pH 4.5-6) 2.29 7.08 -57.92 3 7 1 92 429.468 8

Activity (Go SEA)

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