UCSF

ZINC75244940

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2012 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.43 7.26 -13.5 0 6 0 61 344.411 8
Lo Low (pH 4.5-6) 1.43 7.72 -43 1 6 1 62 345.419 8

Activity (Go SEA)

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