UCSF

ZINC25149782

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 3.53 13.14 -12.24 1 7 0 98 450.564 8
Mid Mid (pH 6-8) 3.99 11.35 -53.45 0 7 -1 101 449.556 8

Activity (Go SEA)

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