UCSF

ZINC44245253

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 3.99 3.88 -34.38 0 5 -1 70 455.535 4
Lo Low (pH 4.5-6) 3.99 3.85 -6.9 1 5 0 68 456.543 4

Activity (Go SEA)

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