UCSF

ZINC06554122

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) 3.30 8.22 -44.34 1 5 -1 81 384.411 5
Mid Mid (pH 6-8) 2.71 9.37 -22.6 1 5 0 75 385.419 5
Lo Low (pH 4.5-6) 3.30 7.09 -19.38 2 5 0 78 385.419 5

Activity (Go SEA)

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