UCSF

ZINC39971521

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 3.56 8.56 -34.59 1 2 1 8 312.275 4
Mid Mid (pH 6-8) 3.56 8.84 -38.79 1 2 1 8 312.275 4
Mid Mid (pH 6-8) 3.56 6.58 -1.88 0 2 0 6 311.267 4

Activity (Go SEA)

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