UCSF

ZINC28005697

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 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) -2.85 -7.49 -85.2 3 10 -2 167 268.185 5
Hi High (pH 8-9.5) -2.85 -6.34 -88.59 3 10 -2 167 268.185 5
Mid Mid (pH 6-8) -3.31 -6.48 -51.93 4 10 -1 164 269.193 5

Activity (Go SEA)

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