UCSF

ZINC37858031

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 27 No

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) 5.65 10.59 -41.73 2 4 1 55 407.317 6
Mid Mid (pH 6-8) 5.65 11.36 -26.67 1 4 0 58 406.309 6

Activity (Go SEA)

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