UCSF

ZINC48276858

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 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) 2.70 7.48 -42.96 2 4 1 57 278.42 4
Hi High (pH 8-9.5) 2.56 5.43 -30.95 1 4 0 64 277.412 4

Activity (Go SEA)

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