UCSF

ZINC19720386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 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) 3.30 6.78 -4.68 1 2 0 25 281.186 5
Lo Low (pH 4.5-6) 3.30 7.24 -33.44 2 2 1 26 282.194 5

Activity (Go SEA)

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