UCSF

ZINC23100466

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 22 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) 2.53 3.1 -23 4 6 0 102 300.314 5
Hi High (pH 8-9.5) 2.53 3.96 -72.44 3 6 -1 104 299.306 5

Activity (Go SEA)

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