UCSF

ZINC36615221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 28 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) 2.17 5.86 -12.86 0 7 0 68 406.552 7
Mid Mid (pH 6-8) 2.17 8.08 -52.77 1 7 1 69 407.56 7

Activity (Go SEA)

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