UCSF

ZINC34582499

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 -8.01 -18.31 8 11 0 201 422.342 2
Hi High (pH 8-9.5) -0.16 -7.32 -56.25 7 11 -1 204 421.334 2
Hi High (pH 8-9.5) -0.16 -7.08 -50.87 7 11 -1 204 421.334 2

Activity (Go SEA)

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