UCSF

ZINC07623588

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2006 21 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) 1.72 7.23 -48.91 2 5 1 54 290.387 5
Hi High (pH 8-9.5) 1.72 5.02 -18.79 1 5 0 53 289.379 5

Activity (Go SEA)

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