UCSF

ZINC27789153

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 29 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) 3.09 8.72 -13.55 0 6 0 49 395.503 9
Mid Mid (pH 6-8) 3.09 9.11 -34.92 1 6 1 50 396.511 9

Activity (Go SEA)

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