UCSF

ZINC25137368

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 3.08 9.05 -14.76 0 6 0 54 379.508 4
Mid Mid (pH 6-8) 3.08 11.28 -53.02 1 6 1 55 380.516 4

Activity (Go SEA)

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