UCSF

ZINC20199562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 14 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) 1.45 2.49 -10.45 2 3 0 56 190.246 4
Hi High (pH 8-9.5) 1.45 3.28 -46.51 1 3 -1 59 189.238 4
Mid Mid (pH 6-8) 1.45 3.76 -55.39 3 3 1 61 191.254 4

Activity (Go SEA)

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