UCSF

ZINC25148063

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 30 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) 6.89 15.01 -9.05 0 3 0 29 389.502 4
Lo Low (pH 4.5-6) 6.89 15.33 -27.92 1 3 1 30 390.51 4

Activity (Go SEA)

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