UCSF

ZINC27971009

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 25 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) 1.56 3.41 -49.23 1 8 -1 108 376.443 5
Mid Mid (pH 6-8) 2.49 3.83 -29.05 2 8 0 109 377.451 4

Activity (Go SEA)

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