UCSF

ZINC37800914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.37 2.15 -50.69 3 6 1 69 285.412 8
Mid Mid (pH 6-8) 0.37 4.29 -99.16 4 6 2 70 286.42 8

Activity (Go SEA)

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