UCSF

ZINC20002112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 2.18 4.78 -61.16 3 4 1 49 309.455 5
Lo Low (pH 4.5-6) 2.18 6.56 -146.14 4 4 2 51 310.463 5

Activity (Go SEA)

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