UCSF

ZINC58523723

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 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) 2.88 6.68 -13.93 2 7 0 106 353.33 5
Hi High (pH 8-9.5) 2.88 7.45 -39.62 1 7 -1 109 352.322 5

Activity (Go SEA)

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