UCSF

ZINC00083918

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 2.91 -1.98 -5.53 2 3 0 48 220.659 2
Mid Mid (pH 6-8) 2.91 -1.39 -28.18 3 3 1 49 221.667 2

Activity (Go SEA)

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