UCSF

ZINC53126577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 13 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) 1.23 0.76 -7.45 2 3 0 56 182.267 3
Lo Low (pH 4.5-6) 1.23 1.99 -43.71 3 3 1 61 183.275 3

Activity (Go SEA)

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