UCSF

ZINC44510910

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) -0.19 2.6 -109.94 4 3 2 42 174.288 6
Mid Mid (pH 6-8) -0.19 1.26 -36.02 3 3 1 38 173.28 6
Mid Mid (pH 6-8) -0.19 1.17 -36.42 3 3 1 38 173.28 6

Activity (Go SEA)

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