UCSF

ZINC30937570

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 32 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) 2.31 11.1 -17.12 1 8 0 80 433.512 7
Mid Mid (pH 6-8) 2.31 13.43 -48.28 2 8 1 81 434.52 7

Activity (Go SEA)

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