UCSF

ZINC08779780

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 32 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) 1.97 6.61 -47 2 8 1 90 459.544 8
Mid Mid (pH 6-8) 1.39 7.44 -55.5 1 8 1 87 459.544 8

Activity (Go SEA)

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