UCSF

ZINC01537481

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 25 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) 2.13 -2.05 -22.41 2 6 0 91 340.379 6
Lo Low (pH 4.5-6) 2.13 -1.42 -39.93 3 6 1 92 341.387 6

Activity (Go SEA)

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