UCSF

ZINC20361812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 4.21 11.69 -124.9 3 2 2 21 276.468 9
Hi High (pH 8-9.5) 4.21 9.43 -39.4 2 2 1 20 275.46 9
Hi High (pH 8-9.5) 4.21 10.76 -30.06 2 2 1 16 275.46 9

Activity (Go SEA)

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