UCSF

ZINC36817617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 15 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) 0.45 0.86 -9.15 1 6 0 76 238.309 6
Mid Mid (pH 6-8) 0.45 0.78 -42.39 0 6 -1 78 237.301 6

Activity (Go SEA)

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