UCSF

ZINC39898327

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 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) 5.56 8.85 -8.76 2 5 0 69 436.726 4
Mid Mid (pH 6-8) 5.56 9.61 -43.03 1 5 -1 72 435.718 4

Activity (Go SEA)

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