UCSF

ZINC20183658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) -0.21 4.45 -50.78 0 6 -1 81 255.294 4
Lo Low (pH 4.5-6) -0.21 3.33 -16.1 1 6 0 78 256.302 4

Activity (Go SEA)

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