UCSF

ZINC45692390

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 No

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) 0.55 2.14 -9.12 2 3 0 38 216.35 3
Mid Mid (pH 6-8) 0.55 4.11 -42.15 3 3 1 40 217.358 3

Activity (Go SEA)

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