UCSF

ZINC19516310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 Yes

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) -0.10 4.78 -66.28 2 5 -1 81 265.333 4
Lo Low (pH 4.5-6) -0.10 3.64 -19.26 3 5 0 78 266.341 4

Activity (Go SEA)

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