UCSF

ZINC16564289

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 26 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) 1.19 9.52 -33.4 3 7 1 92 359.45 6
Mid Mid (pH 6-8) 1.19 7.28 -10.38 2 7 0 90 358.442 6

Activity (Go SEA)

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