UCSF

ZINC42776560

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 3.37 5.61 -9.03 1 3 0 41 293.26 7
Hi High (pH 8-9.5) 3.37 6.61 -47.6 0 3 -1 43 292.252 7
Mid Mid (pH 6-8) 3.37 7.42 -44.33 2 3 1 42 294.268 7

Activity (Go SEA)

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