UCSF

ZINC10019837

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 21 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) 0.87 -4.94 -14.84 3 6 0 90 307.375 7
Mid Mid (pH 6-8) 0.87 -4.69 -38.51 4 6 1 91 308.383 7

Activity (Go SEA)

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