UCSF

ZINC37805263

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.55 4.35 -50.07 3 5 1 68 268.381 5
Mid Mid (pH 6-8) 0.55 4.05 -9.56 2 5 0 67 267.373 5

Activity (Go SEA)

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