UCSF

ZINC37117275

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.72 7.78 -38.94 2 2 1 16 263.43 2
Lo Low (pH 4.5-6) 1.72 8.86 -113.24 3 2 2 21 264.438 2

Activity (Go SEA)

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