UCSF

ZINC19885180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.09 8.35 -49.41 2 4 1 52 272.324 7
Mid Mid (pH 6-8) 3.09 6.94 -9.08 1 4 0 48 271.316 7

Activity (Go SEA)

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