UCSF

ZINC69349802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 22 Yes

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) 2.06 6.44 -106.92 4 4 2 51 306.45 6
Hi High (pH 8-9.5) 2.06 5.21 -36.67 3 4 1 46 305.442 6

Activity (Go SEA)

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