UCSF

ZINC25596310

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 28 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) 4.21 10.65 -10.97 1 5 0 68 426.592 4
Hi High (pH 8-9.5) 4.28 9.56 -44.37 0 5 -1 74 425.584 4

Activity (Go SEA)

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