UCSF

ZINC13122032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 19 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) 3.11 5.47 -10.6 2 4 0 57 255.252 2
Ref Reference (pH 7) 2.94 5.45 -26.34 3 4 1 55 256.26 3
Hi High (pH 8-9.5) 4.30 4.37 -53.25 1 4 -1 64 254.244 2
Hi High (pH 8-9.5) 4.30 2.79 -47.8 1 4 -1 64 254.244 2

Activity (Go SEA)

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