UCSF

ZINC08606539

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 37 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) 5.39 11.43 -15.38 2 7 0 88 497.595 10
Mid Mid (pH 6-8) 5.39 12.21 -55.61 1 7 -1 91 496.587 10

Activity (Go SEA)

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