UCSF

ZINC19963826

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 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) 1.42 1.74 -41.43 3 4 1 55 236.291 3
Hi High (pH 8-9.5) 1.42 2.53 -64.16 2 4 0 58 235.283 3

Activity (Go SEA)

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