UCSF

ZINC02583929

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 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) 1.02 5.36 -87.98 4 4 2 50 255.406 5
Hi High (pH 8-9.5) 1.02 3.08 -43.94 3 4 1 49 254.398 5

Activity (Go SEA)

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