UCSF

ZINC37096086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.69 8.89 -129.05 4 2 2 32 280.5 6
Hi High (pH 8-9.5) 3.69 8.6 -33.81 3 2 1 30 279.492 6
Hi High (pH 8-9.5) 3.69 7.22 -41.23 3 2 1 31 279.492 6

Activity (Go SEA)

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