UCSF

ZINC45694038

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 0.43 3.85 -7.97 3 6 0 84 264.329 2
Mid Mid (pH 6-8) 0.43 4.35 -37.52 4 6 1 85 265.337 2

Activity (Go SEA)

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