UCSF

ZINC33926220

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 26 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) 3.24 4.31 -49.91 1 6 -1 95 349.366 2
Hi High (pH 8-9.5) 3.24 5.08 -100.97 0 6 -2 98 348.358 2
Mid Mid (pH 6-8) 2.78 6.96 -11.57 2 6 0 92 350.374 2

Activity (Go SEA)

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