UCSF

ZINC01186303

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 30 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) 3.84 8.57 -12.79 1 7 0 79 428.51 8
Lo Low (pH 4.5-6) 3.91 6.53 -32.88 2 7 1 84 429.518 8

Activity (Go SEA)

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