UCSF

ZINC13126763

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 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) 2.05 3.48 -14.71 4 6 0 90 312.354 4
Ref Reference (pH 7) 2.05 3.71 -16.95 4 6 0 90 312.354 4
Ref Reference (pH 7) 1.87 3.72 -38.47 5 6 1 88 313.362 5
Hi High (pH 8-9.5) 2.51 1.89 -49.74 3 6 -1 93 311.346 4
Hi High (pH 8-9.5) 2.51 1.58 -45.64 3 6 -1 93 311.346 4

Activity (Go SEA)

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