UCSF

ZINC13834856

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 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) 2.52 4.32 -10.38 4 4 0 78 236.278 1
Mid Mid (pH 6-8) 2.52 4.8 -38.17 5 4 1 79 237.286 1

Activity (Go SEA)

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