UCSF

ZINC13510524

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 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) 1.75 4.19 -7.84 1 3 0 54 190.198 0
Hi High (pH 8-9.5) 1.75 5.3 -46.52 0 3 -1 57 189.19 0
Hi High (pH 8-9.5) 1.75 5.18 -47.01 0 3 -1 57 189.19 0

Activity (Go SEA)

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