UCSF

ZINC20300588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 1.26 6.1 -42.56 2 4 1 51 253.366 3
Hi High (pH 8-9.5) 1.26 3.92 -9.5 1 4 0 49 252.358 3

Activity (Go SEA)

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