UCSF

ZINC36981261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 1.48 6.58 -36.44 2 5 1 61 280.392 6
Mid Mid (pH 6-8) 1.48 5.68 -8.55 1 5 0 56 279.384 6

Activity (Go SEA)

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