UCSF

ZINC33913484

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 30 Yes

Other Names:

MFCD03940098

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) 0.18 -7.2 -18.35 7 9 0 168 418.398 3
Ref Reference (pH 7) 0.18 -7.2 -18.81 7 9 0 168 418.398 3
Hi High (pH 8-9.5) 0.18 -6.21 -67.99 6 9 -1 171 417.39 3
Hi High (pH 8-9.5) 0.18 -6.21 -74.79 6 9 -1 171 417.39 3
Hi High (pH 8-9.5) 0.18 -6.2 -70.25 6 9 -1 171 417.39 3
Hi High (pH 8-9.5) 0.18 -6.2 -71.85 6 9 -1 171 417.39 3

Activity (Go SEA)

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