UCSF

ZINC34582508

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) -0.16 -9.47 -17.1 8 11 0 201 422.342 2
Hi High (pH 8-9.5) -0.16 -8.46 -53.67 7 11 -1 204 421.334 2
Hi High (pH 8-9.5) -0.16 -8.55 -51.83 7 11 -1 204 421.334 2

Activity (Go SEA)

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