UCSF

ZINC09531406

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 31 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) 5.23 13.7 -43.96 2 5 0 71 434.923 8
Mid Mid (pH 6-8) 5.23 12.33 -55 1 5 -1 66 433.915 8

Activity (Go SEA)

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