UCSF

ZINC37017781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.24 3.82 -48.56 4 4 1 70 251.35 3
Mid Mid (pH 6-8) 2.24 3.55 -5.17 3 4 0 68 250.342 3

Activity (Go SEA)

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