UCSF

ZINC05734876

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 27 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) 8.56 17.7 -47.86 0 4 -1 66 383.593 22
Lo Low (pH 4.5-6) 8.56 15.72 -9.61 1 4 0 64 384.601 22

Activity (Go SEA)

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