UCSF

ZINC20521303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 0.30 2.77 -84.16 4 5 2 53 258.41 8
Hi High (pH 8-9.5) 0.30 1.21 -43.67 3 5 1 49 257.402 8
Lo Low (pH 4.5-6) 0.30 4.86 -174.66 5 5 3 55 259.418 8

Activity (Go SEA)

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