UCSF

ZINC37039488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.58 1.71 -48.12 3 5 1 60 222.316 3
Lo Low (pH 4.5-6) -0.58 3.52 -125.03 4 5 2 61 223.324 3

Activity (Go SEA)

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