UCSF

ZINC00053219

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 2.83 3.81 -8.8 1 4 0 59 331.224 4
Hi High (pH 8-9.5) 2.83 3.94 -40.13 0 4 -1 61 330.216 4

Activity (Go SEA)

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