UCSF

ZINC21061072

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 1.57 3.2 -10.13 3 4 0 68 219.288 3
Lo Low (pH 4.5-6) 1.57 3.49 -34.67 4 4 1 69 220.296 3

Activity (Go SEA)

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