UCSF

ZINC34979666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 1.32 3.6 -57.06 3 6 1 92 228.203 4
Hi High (pH 8-9.5) 1.32 2.17 -17.59 2 6 0 87 227.195 4

Activity (Go SEA)

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