UCSF

ZINC06238820

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 27 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) 1.92 5.4 -62.35 0 7 -1 92 370.381 8
Mid Mid (pH 6-8) 1.34 -0.22 -15.83 0 7 0 86 371.389 8
Lo Low (pH 4.5-6) 1.92 4.58 -18.01 1 7 0 89 371.389 8

Activity (Go SEA)

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