UCSF

ZINC22023368

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 2.90 10.18 -113.56 3 3 2 25 285.435 3
Hi High (pH 8-9.5) 2.90 5.37 -5.04 1 3 0 22 283.419 3
Mid Mid (pH 6-8) 2.90 7.96 -37.66 2 3 1 23 284.427 3

Activity (Go SEA)

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