UCSF

ZINC42407759

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 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) 1.01 3.08 -37.12 2 3 1 29 187.307 5
Mid Mid (pH 6-8) 1.01 4.56 -25.59 2 3 1 26 187.307 5
Mid Mid (pH 6-8) 1.01 4.93 -107.63 3 3 2 30 188.315 5

Activity (Go SEA)

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