UCSF

ZINC41667511

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.16 7.33 -10.1 0 5 0 60 355.415 4
Lo Low (pH 4.5-6) 3.16 10.19 -49.93 1 5 1 61 356.423 4

Activity (Go SEA)

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