UCSF

ZINC34679198

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 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) 2.49 11.85 -14.57 0 7 0 62 429.471 3
Lo Low (pH 4.5-6) 2.49 12.14 -37.25 1 7 1 63 430.479 3

Activity (Go SEA)

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