UCSF

ZINC45655623

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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 7.01 -36.78 2 2 1 20 253.454 5
Lo Low (pH 4.5-6) 3.84 9.36 -107.42 3 2 2 21 254.462 5

Activity (Go SEA)

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