UCSF

ZINC12231350

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 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) 2.99 3.1 -9.83 0 8 0 80 378.436 3
Mid Mid (pH 6-8) 2.99 3.29 -31.93 1 8 1 81 379.444 3

Activity (Go SEA)

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