UCSF

ZINC16585699

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 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) 0.85 4.64 -55.7 3 5 1 63 262.333 3
Mid Mid (pH 6-8) 0.85 2.44 -17.1 2 5 0 61 261.325 3

Activity (Go SEA)

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