UCSF

ZINC20527049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 17 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) 1.23 4.56 -57.59 1 5 0 62 237.303 4
Hi High (pH 8-9.5) 1.23 4.47 -50.5 0 5 -1 61 236.295 4

Activity (Go SEA)

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