UCSF

ZINC09065062

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 No

Other Names:

MFCD03501614

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) 4.20 2.43 -48.53 2 6 1 71 441.523 9
Mid Mid (pH 6-8) 3.17 2.17 -48.23 1 6 1 68 441.523 10

Activity (Go SEA)

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