UCSF

ZINC04276148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 28 No

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) 1.70 4.61 -24.22 1 8 0 105 396.79 4
Hi High (pH 8-9.5) 1.76 2.47 -62.24 0 8 -1 112 395.782 4

Activity (Go SEA)

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