UCSF

ZINC13062717

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2008 36 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) 5.13 14.43 -25.68 0 9 0 104 488.544 8
Mid Mid (pH 6-8) 1.21 16.06 -29.59 1 9 1 103 489.552 9

Activity (Go SEA)

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