UCSF

ZINC37031533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 3.84 7.37 -33.34 2 2 1 20 253.454 4
Lo Low (pH 4.5-6) 3.84 9.57 -101.03 3 2 2 21 254.462 4

Activity (Go SEA)

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