UCSF

ZINC55133006

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 30 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) 1.93 5.71 -16.17 2 7 0 87 405.454 9
Mid Mid (pH 6-8) 1.93 7.91 -50.75 3 7 1 88 406.462 9

Activity (Go SEA)

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