UCSF

ZINC36786829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.08 6.29 -50.61 3 2 1 31 289.365 6
Mid Mid (pH 6-8) 3.08 7.77 -131.85 4 2 2 32 290.373 6

Activity (Go SEA)

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