UCSF

ZINC17162170

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 32 No

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) 1.45 4.71 -61.96 0 8 -1 95 436.488 7
Mid Mid (pH 6-8) 1.45 7.05 -71.13 1 8 0 96 437.496 7

Activity (Go SEA)

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