UCSF

ZINC26507489

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 16 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) 1.22 3.3 -17.48 3 5 0 85 212.212 0
Hi High (pH 8-9.5) 1.68 2.17 -43.37 2 5 -1 88 211.204 0

Activity (Go SEA)

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