UCSF

ZINC53157633

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 4.36 6.05 -5.83 2 2 0 32 348.632 5
Lo Low (pH 4.5-6) 4.36 7.47 -51.34 3 2 1 37 349.64 5

Activity (Go SEA)

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