UCSF

ZINC37283161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.82 7.95 -45.55 2 5 1 76 291.371 9
Mid Mid (pH 6-8) 2.82 6.9 -13.9 1 5 0 71 290.363 9

Activity (Go SEA)

Rings

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