UCSF

ZINC22157619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 1.46 2.88 -55.18 1 7 -1 100 309.323 5
Hi High (pH 8-9.5) 1.46 2.95 -105.51 0 7 -2 103 308.315 5

Activity (Go SEA)

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