UCSF

ZINC31996611

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) -0.11 1.09 -48.64 3 3 1 44 212.342 2
Lo Low (pH 4.5-6) -0.11 3.44 -117.34 4 3 2 45 213.35 2

Activity (Go SEA)

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