UCSF

ZINC13122988

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 20 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) 3.95 6.07 -9.47 2 4 0 57 334.148 2
Ref Reference (pH 7) 3.77 6.06 -32.01 3 4 1 55 335.156 3
Hi High (pH 8-9.5) 5.13 4.97 -40.44 1 4 -1 64 333.14 2
Hi High (pH 8-9.5) 4.40 4.03 -44.63 1 4 -1 60 333.14 2
Hi High (pH 8-9.5) 5.13 4.05 -34.19 1 4 -1 64 333.14 2

Activity (Go SEA)

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