UCSF

ZINC06244750

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 31 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.83 7.14 -19.37 1 7 0 89 439.537 10
Lo Low (pH 4.5-6) 2.83 7.42 -52.37 2 7 1 90 440.545 10

Activity (Go SEA)

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