UCSF

ZINC08462413

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2006 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) 2.91 9.07 -52.75 2 6 1 71 381.452 6
Mid Mid (pH 6-8) 1.88 9.86 -62.93 1 6 1 68 381.452 7

Activity (Go SEA)

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