UCSF

ZINC53650314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 15 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) 0.14 2.34 -34.52 2 4 1 38 217.333 8
Hi High (pH 8-9.5) 0.14 0.64 -2.53 1 4 0 34 216.325 8
Mid Mid (pH 6-8) 0.14 3.49 -27.13 2 4 1 35 217.333 8
Mid Mid (pH 6-8) 0.14 4.55 -97.59 3 4 2 40 218.341 8

Activity (Go SEA)

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