UCSF

ZINC13809891

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 30 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) 3.02 6.89 -53.68 0 8 -1 111 427.82 7
Ref Reference (pH 7) 3.02 6.74 -55.99 0 8 -1 111 427.82 7
Lo Low (pH 4.5-6) 2.56 9.41 -13.39 1 8 0 107 428.828 7

Activity (Go SEA)

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