UCSF

ZINC37019850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.10 2.59 -47.48 4 5 1 73 235.311 3
Hi High (pH 8-9.5) 0.10 2.25 -10.31 3 5 0 71 234.303 3
Mid Mid (pH 6-8) 0.10 2.96 -88.97 5 5 2 74 236.319 3

Activity (Go SEA)

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