UCSF

ZINC45116705

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 15 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) 1.29 0.48 -8.26 3 4 0 72 246.357 3
Lo Low (pH 4.5-6) 1.29 0.33 -54 4 4 1 74 247.365 3

Activity (Go SEA)

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