UCSF

ZINC30015266

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2009 24 No

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) 2.95 7.77 -40.61 1 5 -1 70 344.46 3
Mid Mid (pH 6-8) 2.50 9.04 -11.59 2 5 0 67 345.468 3

Activity (Go SEA)

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