UCSF

ZINC20942021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 1.26 5.82 -108.02 4 5 2 58 319.449 5
Hi High (pH 8-9.5) 1.26 3.47 -51.45 3 5 1 57 318.441 5

Activity (Go SEA)

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