UCSF

ZINC14533605

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 31 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) 5.65 11.74 -9.66 2 7 0 85 428.577 11
Lo Low (pH 4.5-6) 5.65 12.04 -32.19 3 7 1 87 429.585 11

Activity (Go SEA)

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