UCSF

ZINC30840442

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 28 No

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) 2.35 5.82 -42.18 1 11 -1 159 455.197 8
Mid Mid (pH 6-8) 1.89 6.78 -22.29 2 11 0 156 456.205 8

Activity (Go SEA)

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