UCSF

ZINC37821670

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.82 3.67 -39.24 2 4 1 40 258.411 3
Mid Mid (pH 6-8) 0.82 4.28 -44.96 2 4 1 37 258.411 3
Mid Mid (pH 6-8) 0.82 5.59 -99.7 3 4 2 41 259.419 3
Mid Mid (pH 6-8) 0.82 2.35 -5.63 1 4 0 36 257.403 3

Activity (Go SEA)

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