UCSF

ZINC03899759

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 22 No

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) 3.15 3.31 -47.68 1 5 -1 93 288.286 2
Mid Mid (pH 6-8) 2.09 -1.61 -29.97 2 5 0 89 289.294 1

Activity (Go SEA)

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