UCSF

ZINC20306139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 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) 3.70 8.04 -51.31 2 1 1 17 301.204 4
Hi High (pH 8-9.5) 3.70 6.62 -4.42 1 1 0 12 300.196 4

Activity (Go SEA)

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