UCSF

ZINC31773317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 23 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) 2.87 4.8 -52.98 4 3 1 57 322.375 6
Hi High (pH 8-9.5) 2.87 3.57 -8.86 3 3 0 52 321.367 6

Activity (Go SEA)

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