UCSF

ZINC09114842

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 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) 6.23 17.04 -43.27 2 4 0 62 458.627 9
Mid Mid (pH 6-8) 6.23 15.68 -54.19 1 4 -1 57 457.619 9

Activity (Go SEA)

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