UCSF

ZINC37823008

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.32 5.82 -31.67 3 5 1 65 259.333 3
Mid Mid (pH 6-8) 0.32 5.32 -18.99 2 5 0 64 258.325 3

Activity (Go SEA)

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