UCSF

ZINC04556945

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 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) 6.27 12.58 -43.26 0 2 -1 40 255.422 13
Lo Low (pH 4.5-6) 6.27 10.61 -4.91 1 2 0 37 256.43 13

Activity (Go SEA)

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