UCSF

ZINC07064940

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 23 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) 0.73 5.97 -18.56 1 8 0 99 314.301 3
Mid Mid (pH 6-8) 0.73 6.46 -55 2 8 1 100 315.309 3

Activity (Go SEA)

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