UCSF

ZINC12370857

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 9 No

Other Names:

MFCD00052464

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) -1.84 -3.71 -30.48 4 6 0 99 134.091 2
Hi High (pH 8-9.5) -1.65 -4.8 -53.44 3 6 -1 105 133.083 2
Hi High (pH 8-9.5) -1.65 -6.75 -54.19 3 6 -1 105 133.083 2

Activity (Go SEA)

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