UCSF

ZINC37332192

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 13 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) 0.76 2.33 -6.29 0 3 0 30 183.251 1
Lo Low (pH 4.5-6) 0.76 4.39 -33.62 1 3 1 31 184.259 1

Activity (Go SEA)

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