UCSF

ZINC37081283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 9 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) 0.49 1.81 -35.93 2 2 1 20 129.227 4
Hi High (pH 8-9.5) 0.49 0.37 -1.29 1 2 0 15 128.219 4
Mid Mid (pH 6-8) 0.49 4.1 -102.38 3 2 2 21 130.235 4
Mid Mid (pH 6-8) 0.49 2.66 -29.46 2 2 1 16 129.227 4

Activity (Go SEA)

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