UCSF

ZINC36989863

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 3.03 6.87 -41.83 2 3 1 29 242.346 2
Lo Low (pH 4.5-6) 3.03 7.31 -84.78 3 3 2 31 243.354 2

Activity (Go SEA)

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