UCSF

ZINC37188797

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.28 7.86 -26.52 2 3 1 31 264.418 7
Mid Mid (pH 6-8) 3.28 8.42 -36.38 2 3 1 34 264.418 7
Mid Mid (pH 6-8) 3.28 7.26 -7.91 1 3 0 30 263.41 7
Mid Mid (pH 6-8) 3.28 9.05 -102.83 3 3 2 36 265.426 7

Activity (Go SEA)

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