UCSF

ZINC20000233

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.06 7.66 -8.16 2 6 0 110 395.466 2
Lo Low (pH 4.5-6) 3.06 7.5 -44.99 3 6 1 111 396.474 2

Activity (Go SEA)

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