UCSF

ZINC39892670

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.65 9.73 -16.86 1 4 0 55 344.414 3
Lo Low (pH 4.5-6) 4.65 10.11 -34.5 2 4 1 56 345.422 3

Activity (Go SEA)

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