UCSF

ZINC00108983

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.48 6.2 -33.2 4 4 1 69 316.381 2
Mid Mid (pH 6-8) 3.48 5.8 -10.35 3 4 0 68 315.373 2

Activity (Go SEA)

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