UCSF

ZINC00801600

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 28 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) 2.07 3.11 -42.11 2 7 1 84 385.44 8
Mid Mid (pH 6-8) 1.49 3.49 -51.22 1 7 1 81 385.44 8

Activity (Go SEA)

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