UCSF

ZINC20645455

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 31 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) 3.13 9.8 -43.25 2 7 0 78 440.569 9
Lo Low (pH 4.5-6) 2.40 10.21 -40.68 3 7 1 81 441.577 9

Activity (Go SEA)

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