UCSF

ZINC06553844

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 29 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) 2.55 8.95 -61.19 0 7 -1 96 392.387 6
Mid Mid (pH 6-8) 1.96 8.38 -14.06 0 7 0 90 393.395 6
Mid Mid (pH 6-8) 2.55 7.98 -14.76 1 7 0 93 393.395 6

Activity (Go SEA)

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