UCSF

ZINC42562702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 11 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) 1.13 3.88 -110.61 4 2 2 32 160.305 5
Mid Mid (pH 6-8) 1.13 2.03 -41.12 3 2 1 31 159.297 5
Mid Mid (pH 6-8) 1.13 3.49 -30.55 3 2 1 30 159.297 5

Activity (Go SEA)

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