UCSF

ZINC07052499

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 18 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) 3.99 5.43 -6.71 1 3 0 46 302.182 3
Mid Mid (pH 6-8) 3.99 5.47 -39.35 0 3 -1 48 301.174 3

Activity (Go SEA)

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