UCSF

ZINC44685439

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 3.39 6.41 -35.96 2 2 1 20 225.4 7
Hi High (pH 8-9.5) 3.39 5.56 -0.53 1 2 0 15 224.392 7
Mid Mid (pH 6-8) 3.39 7.9 -29.53 2 2 1 16 225.4 7
Mid Mid (pH 6-8) 3.39 8.76 -104.98 3 2 2 21 226.408 7

Activity (Go SEA)

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