UCSF

ZINC37108400

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.44 3.73 -42.92 3 3 1 40 235.351 3
Hi High (pH 8-9.5) 0.44 3.29 -3.16 2 3 0 38 234.343 3
Mid Mid (pH 6-8) 0.44 5.13 -36.64 3 3 1 40 235.351 3
Mid Mid (pH 6-8) 0.44 5.44 -125.44 4 3 2 41 236.359 3

Activity (Go SEA)

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