UCSF

ZINC43254190

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 4.40 6.28 -44.45 3 2 1 31 303.923 6
Hi High (pH 8-9.5) 4.40 6.42 -1.21 2 2 0 29 302.915 6
Mid Mid (pH 6-8) 4.40 7.34 -31.35 3 2 1 30 303.923 6
Mid Mid (pH 6-8) 4.40 7.67 -116.92 4 2 2 32 304.931 6

Activity (Go SEA)

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