UCSF

ZINC65551833

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 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) 3.82 6.06 -37.28 0 3 -1 44 291.421 3
Mid Mid (pH 6-8) 3.82 6.74 -11.43 1 3 0 42 292.429 3

Activity (Go SEA)

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