UCSF

ZINC36923673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 0.42 4.91 -45 2 5 1 55 253.37 6
Mid Mid (pH 6-8) 0.42 4.01 -11.15 1 5 0 50 252.362 6

Activity (Go SEA)

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