UCSF

ZINC40180934

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.67 8.8 -12.06 1 5 0 60 360.392 5
Lo Low (pH 4.5-6) 2.67 9.99 -31.72 2 5 1 61 361.4 5

Activity (Go SEA)

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