UCSF

ZINC24671041

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 18 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) 2.52 4.23 -39.63 3 4 1 54 292.186 6
Hi High (pH 8-9.5) 2.52 2.02 -10.77 2 4 0 53 291.178 6

Activity (Go SEA)

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