UCSF

ZINC31092198

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 3.26 6.94 -12.82 1 3 0 42 240.306 2
Lo Low (pH 4.5-6) 3.26 7.35 -40.48 2 3 1 43 241.314 2

Activity (Go SEA)

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