UCSF

ZINC20532771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 1.93 4.93 -43.89 0 8 -1 94 465.555 7
Mid Mid (pH 6-8) 1.93 4.86 -14.62 1 8 0 92 466.563 7

Activity (Go SEA)

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