UCSF

ZINC42860492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 12 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) -0.01 -0.1 -43.99 3 3 1 44 186.304 5
Lo Low (pH 4.5-6) -0.01 2.25 -102.68 4 3 2 45 187.312 5

Activity (Go SEA)

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