UCSF

ZINC39859770

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 22 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) 3.38 10.06 -44.96 1 4 1 47 303.426 6
Mid Mid (pH 6-8) 3.38 8.12 -7.66 0 4 0 45 302.418 6

Activity (Go SEA)

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