UCSF

ZINC37266154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 0.30 6.78 -36.81 3 3 1 40 277.432 4
Hi High (pH 8-9.5) 0.30 4.72 -4.52 2 3 0 38 276.424 4
Mid Mid (pH 6-8) 0.30 7.09 -122.7 4 3 2 41 278.44 4
Mid Mid (pH 6-8) 0.30 4.99 -46.99 3 3 1 40 277.432 4

Activity (Go SEA)

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