UCSF

ZINC37102043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.23 5.89 -43.07 1 5 -1 65 284.73 4
Lo Low (pH 4.5-6) 3.23 5.98 -8.96 2 5 0 66 285.738 4

Activity (Go SEA)

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