UCSF

ZINC04944441

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 23 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) 2.70 1.87 -41.13 2 6 -1 98 328.373 4
Mid Mid (pH 6-8) 2.70 -5.2 -16.3 3 6 0 95 329.381 4

Activity (Go SEA)

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