UCSF

ZINC36110564

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 2.49 3.84 -11.79 1 5 0 72 291.756 6
Mid Mid (pH 6-8) 2.49 4 -36.8 0 5 -1 75 290.748 6

Activity (Go SEA)

Rings

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