UCSF

ZINC31903304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 5.61 12.59 -9.02 0 2 0 18 292.426 5
Mid Mid (pH 6-8) 5.61 13.01 -28.34 1 2 1 19 293.434 5

Activity (Go SEA)

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