UCSF

ZINC34680523

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.42 8.21 -50.31 3 6 1 71 361.853 5
Lo Low (pH 4.5-6) 2.42 8.54 -102.84 4 6 2 72 362.861 5

Activity (Go SEA)

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