UCSF

ZINC01235236

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 32 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) 3.75 0.72 -15.65 1 7 0 92 428.444 4
Lo Low (pH 4.5-6) 3.75 0.88 -33.67 2 7 1 94 429.452 4

Activity (Go SEA)

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