UCSF

ZINC15319597

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 30 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) 3.50 10.01 -10.88 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.68 9.82 -11.43 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.68 10.66 -19.07 0 6 0 82 443.546 6
Mid Mid (pH 6-8) 3.50 9.97 -11.79 0 6 0 82 443.546 6

Activity (Go SEA)

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