UCSF

ZINC37044686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.39 -2.32 -57.28 5 6 1 103 262.286 4
Hi High (pH 8-9.5) -0.39 -2.52 -54.32 3 6 -1 103 260.27 4
Mid Mid (pH 6-8) -0.39 -2.13 -79.61 4 6 0 105 261.278 4

Activity (Go SEA)

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