UCSF

ZINC09296664

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 32 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) 6.48 1.03 -17.58 1 6 0 80 444.512 7
Ref Reference (pH 7) 5.99 12.75 -49.77 0 6 -1 80 443.504 8

Activity (Go SEA)

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