UCSF

ZINC22786874

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 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) 3.74 7.3 -39.3 2 4 1 44 338.374 7
Hi High (pH 8-9.5) 3.74 6 -6.25 1 4 0 40 337.366 7

Activity (Go SEA)

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