UCSF

ZINC37998829

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 0.86 1.12 -47.28 4 6 1 86 275.332 4
Mid Mid (pH 6-8) 0.86 -1.07 -13.15 3 6 0 84 274.324 4

Activity (Go SEA)

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