UCSF

ZINC19517154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.29 1.84 -54.84 3 5 1 66 237.279 2
Hi High (pH 8-9.5) 0.29 1.23 -59.47 1 5 -1 65 235.263 2
Mid Mid (pH 6-8) 0.29 0.47 -10.91 2 5 0 62 236.271 2

Activity (Go SEA)

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