UCSF

ZINC37079735

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.64 6.33 -44.58 3 2 1 31 247.406 7
Mid Mid (pH 6-8) 2.64 7.59 -29.42 3 2 1 30 247.406 7
Mid Mid (pH 6-8) 2.64 7.96 -121.5 4 2 2 32 248.414 7

Activity (Go SEA)

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