UCSF

ZINC13281323

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 24 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) 1.80 7.49 -13.82 1 5 0 64 375.5 5
Lo Low (pH 4.5-6) 1.80 7.78 -41.03 2 5 1 65 376.508 5

Activity (Go SEA)

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