UCSF

ZINC37233017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.11 5.15 -44.1 2 5 1 49 286.44 7
Mid Mid (pH 6-8) 2.11 6.71 -128.08 3 5 2 51 287.448 7
Mid Mid (pH 6-8) 2.11 7.57 -37.86 2 5 1 46 286.44 7

Activity (Go SEA)

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