UCSF

ZINC01176371

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 32 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) 5.11 11.67 -17.53 1 7 0 83 475.95 9
Lo Low (pH 4.5-6) 4.46 10.88 -40.96 1 7 1 85 476.958 8

Activity (Go SEA)

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