UCSF

ZINC45687355

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.42 5.82 -96.1 4 3 2 35 245.455 10
Hi High (pH 8-9.5) 2.42 3.34 -42.52 3 3 1 34 244.447 10

Activity (Go SEA)

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