UCSF

ZINC36882723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 1.87 3.94 -44.06 3 3 1 40 241.399 2
Mid Mid (pH 6-8) 1.87 5.63 -121.32 4 3 2 41 242.407 2

Activity (Go SEA)

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