UCSF

ZINC24165044

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 22 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) 1.16 3.66 -15.98 1 6 0 62 305.378 5
Lo Low (pH 4.5-6) 1.16 5.87 -42.19 2 6 1 63 306.386 5

Activity (Go SEA)

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