UCSF

ZINC20192332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.08 10.92 -32.06 1 2 1 8 299.482 4
Hi High (pH 8-9.5) 4.08 9.27 -1.72 0 2 0 6 298.474 4

Activity (Go SEA)

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