UCSF

ZINC39917931

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.24 12.45 -11.95 0 3 0 27 342.87 6
Mid Mid (pH 6-8) 5.24 12.88 -31.56 1 3 1 28 343.878 6

Activity (Go SEA)

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