UCSF

ZINC43408363

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.40 3.08 -12.99 3 5 0 63 306.435 5
Mid Mid (pH 6-8) 1.40 3.41 -38.24 4 5 1 65 307.443 5
Mid Mid (pH 6-8) 1.40 5.34 -44.72 4 5 1 65 307.443 5
Lo Low (pH 4.5-6) 1.40 5.67 -103.76 5 5 2 66 308.451 5

Activity (Go SEA)

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