UCSF

ZINC34577794

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 3.08 9.33 -39.16 2 6 1 73 348.467 9
Hi High (pH 8-9.5) 3.08 8.97 -17.19 1 6 0 72 347.459 9

Activity (Go SEA)

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