UCSF

ZINC08769479

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 27 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) 1.97 1.23 -22.06 3 8 0 103 368.393 5
Ref Reference (pH 7) 2.16 3.84 -20.77 3 8 0 100 368.393 5

Activity (Go SEA)

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