UCSF

ZINC22056328

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 1.32 3.13 -39.37 3 4 1 55 254.35 9
Hi High (pH 8-9.5) 1.32 1.72 -5.06 2 4 0 51 253.342 9

Activity (Go SEA)

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