UCSF

ZINC70193643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 21 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) 2.69 8.78 -88.41 3 4 2 38 288.439 5
Hi High (pH 8-9.5) 2.69 8.06 -37.46 2 4 1 37 287.431 5
Lo Low (pH 4.5-6) 2.69 9.68 -100.56 3 4 2 38 288.439 5

Activity (Go SEA)

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