UCSF

ZINC37242582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) -0.31 1.92 -39.95 3 6 1 86 255.342 7
Hi High (pH 8-9.5) -0.13 0.64 -38.78 2 6 0 93 254.334 7
Hi High (pH 8-9.5) -0.13 0.65 -52.12 2 6 0 93 254.334 7

Activity (Go SEA)

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