UCSF

ZINC43258832

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.00 2.42 -44.74 5 4 1 74 361.329 5
Hi High (pH 8-9.5) 2.00 1.38 -8.29 4 4 0 72 360.321 5
Mid Mid (pH 6-8) 2.00 3.81 -35.72 5 4 1 74 361.329 5
Mid Mid (pH 6-8) 2.00 4.14 -117.29 6 4 2 75 362.337 5

Activity (Go SEA)

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