UCSF

ZINC07105304

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2006 22 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) 3.40 7.91 -44.86 2 4 1 37 302.442 3
Mid Mid (pH 6-8) 3.40 5.45 -10.11 1 4 0 36 301.434 3

Activity (Go SEA)

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