UCSF

ZINC46511782

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.15 6.5 -41.22 1 5 1 43 283.392 3
Hi High (pH 8-9.5) 1.15 4.28 -9.15 0 5 0 42 282.384 3

Activity (Go SEA)

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