UCSF

ZINC12442720

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 28 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) 3.93 0.41 -9.63 0 7 0 71 378.432 4
Mid Mid (pH 6-8) 3.93 1.2 -37.55 1 7 1 72 379.44 4

Activity (Go SEA)

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