UCSF

ZINC37349070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 5.05 7.28 -4.61 3 3 0 55 298.217 3
Mid Mid (pH 6-8) 5.05 7.39 -30.12 4 3 1 56 299.225 3

Activity (Go SEA)

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