UCSF

ZINC37005637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 No

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) 1.19 3.34 -43.37 3 4 1 55 253.347 4
Mid Mid (pH 6-8) 1.19 1.96 -8.55 2 4 0 50 252.339 4

Activity (Go SEA)

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