UCSF

ZINC24717054

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 16 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) 1.28 2.67 -9.44 1 4 0 49 235.312 1
Lo Low (pH 4.5-6) 1.28 3.1 -34.3 2 4 1 50 236.32 1

Activity (Go SEA)

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