UCSF

ZINC27322964

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 23 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) 0.64 6.5 -61.08 3 5 1 71 304.377 3
Mid Mid (pH 6-8) 0.64 7.29 -99.23 4 5 2 72 305.385 3

Activity (Go SEA)

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