UCSF

ZINC16552510

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 23 No

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) 0.84 5.34 -12.17 1 6 0 79 311.341 4
Lo Low (pH 4.5-6) 0.84 5.62 -41.29 2 6 1 81 312.349 4

Activity (Go SEA)

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