UCSF

ZINC36613822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 33 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) 1.90 5.89 -15.4 0 8 0 85 443.507 5
Mid Mid (pH 6-8) 1.90 8.1 -70.76 1 8 1 86 444.515 5

Activity (Go SEA)

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