UCSF

ZINC37989179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 1.68 5.4 -56.98 3 3 1 45 238.261 4
Mid Mid (pH 6-8) 1.68 5.43 -56.42 3 3 1 45 238.261 4
Mid Mid (pH 6-8) 1.68 4.03 -9.28 2 3 0 41 237.253 4
Mid Mid (pH 6-8) 1.68 4.06 -9.56 2 3 0 41 237.253 4

Activity (Go SEA)

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