UCSF

ZINC37051738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.82 4.89 -36.57 2 4 1 38 251.398 4
Hi High (pH 8-9.5) 0.82 3.63 -5.79 1 4 0 33 250.39 4
Mid Mid (pH 6-8) 0.82 5.65 -36.37 2 4 1 34 251.398 4
Mid Mid (pH 6-8) 0.82 6.82 -112.14 3 4 2 39 252.406 4

Activity (Go SEA)

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