UCSF

ZINC00861225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 26 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) 3.57 6.95 -11.62 0 5 0 72 352.434 3
Mid Mid (pH 6-8) 3.76 6.75 -11.15 0 5 0 72 352.434 3
Mid Mid (pH 6-8) 3.76 7.59 -14.33 0 5 0 72 352.434 3

Activity (Go SEA)

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