UCSF

ZINC21009931

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.49 7.62 -45.4 3 3 1 46 286.395 7
Hi High (pH 8-9.5) 2.49 7.24 -5.34 2 3 0 44 285.387 7

Activity (Go SEA)

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