UCSF

ZINC19506188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 2.08 3.79 -42.8 2 4 1 46 239.339 1
Hi High (pH 8-9.5) 2.08 2.52 -10.99 1 4 0 42 238.331 1

Activity (Go SEA)

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