UCSF

ZINC41671701

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 2.31 9.5 -44.5 1 5 0 72 270.288 4
Mid Mid (pH 6-8) 2.31 9.05 -51.75 0 5 -1 71 269.28 4

Activity (Go SEA)

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