UCSF

ZINC47334099

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2010 26 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) 2.73 5.16 -7.32 2 5 0 54 361.392 5
Lo Low (pH 4.5-6) 2.73 7.42 -43.67 3 5 1 55 362.4 5

Activity (Go SEA)

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