UCSF

ZINC29207956

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 29 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) 2.30 4.55 -14.16 3 9 0 123 400.435 7
Lo Low (pH 4.5-6) 2.30 6.94 -54.39 4 9 1 124 401.443 7

Activity (Go SEA)

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