UCSF

ZINC37496776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 21 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) 2.35 7 -96.17 3 4 2 34 293.455 8
Mid Mid (pH 6-8) 2.35 4.63 -44.38 2 4 1 32 292.447 8

Activity (Go SEA)

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