UCSF

ZINC17191548

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 27 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) 6.15 12.91 -15.57 1 3 0 42 390.895 4
Hi High (pH 8-9.5) 6.22 12 -46.46 0 3 -1 48 389.887 4

Activity (Go SEA)

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