UCSF

ZINC40250392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 25 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) 7.15 13.49 -12.02 0 2 0 18 387.697 3
Lo Low (pH 4.5-6) 7.15 14.12 -31.47 1 2 1 19 388.705 3

Activity (Go SEA)

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