UCSF

ZINC08846516

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 No

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) 5.97 -0.81 -11.84 1 4 0 62 442.603 8
Mid Mid (pH 6-8) 6.56 1.09 -38.23 3 4 1 67 443.611 7

Activity (Go SEA)

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