UCSF

ZINC00042821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 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) 1.90 8.29 -41.41 1 2 1 17 213.304 4
Lo Low (pH 4.5-6) 1.90 8.56 -102.15 2 2 2 19 214.312 4

Activity (Go SEA)

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