UCSF

ZINC20549271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) 1.67 5.58 -58.97 4 5 1 83 302.185 5
Hi High (pH 8-9.5) 1.67 3.23 -14.89 3 5 0 82 301.177 5

Activity (Go SEA)

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