UCSF

ZINC13122374

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 4.30 4.4 -47.09 2 9 -1 147 359.705 4
Ref Reference (pH 7) 3.57 4.49 -46.85 2 9 -1 143 359.705 4
Hi High (pH 8-9.5) 4.30 5.95 -106.26 1 9 -2 150 358.697 4
Hi High (pH 8-9.5) 4.30 4.08 -86.09 1 9 -2 145 358.697 4
Hi High (pH 8-9.5) 4.30 5.02 -104.3 1 9 -2 150 358.697 4
Hi High (pH 8-9.5) 4.30 3.32 -83.34 1 9 -2 145 358.697 4

Activity (Go SEA)

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