UCSF

ZINC31819203

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 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) 0.49 5.6 -15.56 1 6 0 68 240.27 3
Lo Low (pH 4.5-6) 0.49 6.04 -53.75 2 6 1 69 241.278 3

Activity (Go SEA)

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