UCSF

ZINC08573044

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2006 22 Yes

Other Names:

MFCD00687674

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) 3.14 7.55 -22.06 1 5 0 59 295.342 2
Hi High (pH 8-9.5) 3.60 6.21 -51.11 0 5 -1 62 294.334 2
Lo Low (pH 4.5-6) 3.14 7.73 -36.82 2 5 1 61 296.35 2

Activity (Go SEA)

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