UCSF

ZINC37010107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.62 5.55 -101.49 5 5 2 64 278.4 4
Mid Mid (pH 6-8) 1.62 3.32 -54.96 4 5 1 63 277.392 4

Activity (Go SEA)

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