UCSF

ZINC01322304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 31 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) 1.52 -1.75 -58.94 3 7 -1 118 417.441 7

Activity (Go SEA)

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