UCSF

ZINC37031552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 4.05 7.36 -35 2 2 1 20 253.454 5
Lo Low (pH 4.5-6) 4.05 9.58 -104.01 3 2 2 21 254.462 5

Activity (Go SEA)

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