UCSF

ZINC09871719

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 34 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) 3.33 5.33 -26 4 10 0 149 460.494 7
Hi High (pH 8-9.5) 3.79 3.69 -56.1 3 10 -1 152 459.486 7
Hi High (pH 8-9.5) 3.79 3.3 -70.21 3 10 -1 152 459.486 7
Hi High (pH 8-9.5) 3.79 3.42 -66.84 3 10 -1 152 459.486 7
Hi High (pH 8-9.5) 3.79 3.57 -60.71 3 10 -1 152 459.486 7

Activity (Go SEA)

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