UCSF

ZINC20189010

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 2.87 7.02 -33.68 2 2 1 16 253.435 4
Lo Low (pH 4.5-6) 2.87 8.32 -106.04 3 2 2 21 254.443 4

Activity (Go SEA)

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