UCSF

ZINC22154541

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 1.89 5.57 -110.54 5 4 2 61 263.385 4
Hi High (pH 8-9.5) 1.89 3.52 -58.73 4 4 1 60 262.377 4

Activity (Go SEA)

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