UCSF

ZINC33010433

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 34 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) 4.22 11.33 -72.35 2 8 0 99 462.55 8
Hi High (pH 8-9.5) 4.22 9.03 -53.56 1 8 -1 98 461.542 8
Mid Mid (pH 6-8) 4.22 11.59 -102.48 3 8 1 100 463.558 8

Activity (Go SEA)

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