UCSF

ZINC36745404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.24 -2.85 -16.95 4 6 0 101 334.195 4
Mid Mid (pH 6-8) 0.24 -1.58 -57.7 5 6 1 106 335.203 4

Activity (Go SEA)

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