UCSF

ZINC23094233

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 9 Yes

Other Names:

MFCD10026603

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) 0.33 0.58 -37.91 3 2 1 31 131.243 3
Hi High (pH 8-9.5) 0.33 2.2 -27.61 3 2 1 30 131.243 3
Hi High (pH 8-9.5) 0.33 0.26 -0.62 2 2 0 29 130.235 3
Mid Mid (pH 6-8) 0.33 2.54 -107.96 4 2 2 32 132.251 3

Activity (Go SEA)

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