UCSF

ZINC17050675

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 33 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) 4.80 6.78 -19.93 1 7 0 93 490.578 6
Hi High (pH 8-9.5) 4.80 6.85 -57.13 0 7 -1 95 489.57 6

Activity (Go SEA)

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