UCSF

ZINC06671664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 25 No

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) 2.82 7.91 -43.03 2 5 1 68 339.415 5
Lo Low (pH 4.5-6) 2.82 8.19 -95.13 3 5 2 69 340.423 5

Activity (Go SEA)

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