UCSF

ZINC44685331

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 2.03 5.99 -47.28 2 4 1 38 291.415 7
Lo Low (pH 4.5-6) 2.03 8.33 -119.77 3 4 2 40 292.423 7
Lo Low (pH 4.5-6) 2.03 7.12 -37.6 2 4 1 35 291.415 7

Activity (Go SEA)

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