UCSF

ZINC62019232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 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) 2.98 6.96 -43.86 3 3 1 44 276.791 4
Hi High (pH 8-9.5) 2.98 6.55 -5.48 2 3 0 42 275.783 4
Hi High (pH 8-9.5) 2.98 7.12 -24.25 3 3 1 43 276.791 4

Activity (Go SEA)

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