UCSF

ZINC46269827

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2010 22 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) 2.50 5.05 -10.12 1 4 0 42 298.386 4
Mid Mid (pH 6-8) 2.50 7.22 -46.13 2 4 1 43 299.394 4

Activity (Go SEA)

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