UCSF

ZINC39898510

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 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) 6.35 10.2 -9.25 2 5 0 69 423.944 6
Mid Mid (pH 6-8) 6.35 10.38 -11.45 2 5 0 69 423.944 6

Activity (Go SEA)

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