UCSF

ZINC19636422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 3.90 11.07 -110.47 2 2 2 9 266.473 6
Mid Mid (pH 6-8) 3.90 9.5 -31.81 1 2 1 8 265.465 6

Activity (Go SEA)

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