UCSF

ZINC36617121

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 3.57 8.26 -61.26 1 7 -1 104 379.392 6
Ref Reference (pH 7) 3.57 8.68 -60.96 1 7 -1 104 379.392 6
Hi High (pH 8-9.5) 3.57 9.6 -101.97 0 7 -2 107 378.384 6
Hi High (pH 8-9.5) 3.57 9.18 -102.01 0 7 -2 107 378.384 6

Activity (Go SEA)

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