UCSF

ZINC07424196

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 25 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) 3.28 8.75 -8.88 0 7 0 74 336.351 3
Mid Mid (pH 6-8) 3.28 9.86 -33.26 1 7 1 76 337.359 3

Activity (Go SEA)

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