UCSF

ZINC25143951

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 34 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) 5.54 10.88 -17.21 1 5 0 64 463.459 6
Lo Low (pH 4.5-6) 5.54 11.11 -43.33 2 5 1 65 464.467 6

Activity (Go SEA)

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