UCSF

ZINC04946962

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 23 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) 6.04 10.06 -4.75 1 2 0 28 306.453 3
Lo Low (pH 4.5-6) 5.87 11.8 -106.99 3 2 2 31 308.469 4

Activity (Go SEA)

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