UCSF

ZINC34349843

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 19 Yes

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) -4.33 1.64 -66.56 5 9 -1 166 269.237 7
Hi High (pH 8-9.5) -4.33 1.38 -100.04 4 9 -2 164 268.229 7
Hi High (pH 8-9.5) -4.33 1.92 -108.91 4 9 -2 164 268.229 7
Mid Mid (pH 6-8) -4.33 1.84 -95.79 5 9 -1 165 269.237 7
Mid Mid (pH 6-8) -4.33 2.15 -78.94 6 9 0 167 270.245 7
Mid Mid (pH 6-8) -4.33 2.23 -67.49 5 9 -1 166 269.237 7

Activity (Go SEA)

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