UCSF

ZINC08695209

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 32 No

Other Names:

MFCD06239849

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) 5.45 12.82 -52.63 2 5 1 62 455.644 13
Mid Mid (pH 6-8) 4.87 13.52 -61.35 1 5 1 59 455.644 13

Activity (Go SEA)

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