UCSF

ZINC36777313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) -0.26 0.56 -40.1 3 4 1 53 224.328 7
Hi High (pH 8-9.5) -0.26 -0.81 -6.2 2 4 0 48 223.32 7
Hi High (pH 8-9.5) -0.26 1.6 -36.07 3 4 1 50 224.328 7
Mid Mid (pH 6-8) -0.26 1.28 -80.25 4 4 2 54 225.336 7
Mid Mid (pH 6-8) -0.26 3.51 -45.29 3 4 1 57 224.328 7

Activity (Go SEA)

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