UCSF

ZINC36634332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 2.61 7.04 -16.74 2 7 0 97 395.868 8
Hi High (pH 8-9.5) 2.79 5.39 -48.3 1 7 -1 104 394.86 8

Activity (Go SEA)

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