UCSF

ZINC08181511

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 25 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) 3.08 7.34 -12.58 1 5 0 66 358.463 4
Mid Mid (pH 6-8) 3.08 7.4 -46.41 0 5 -1 69 357.455 4

Activity (Go SEA)

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