UCSF

ZINC02051944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 26 No

Other Names:

MFCD01241442

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) 1.76 -3.6 -41.12 2 7 1 75 377.49 8
Mid Mid (pH 6-8) 1.76 -2.64 -111.93 3 7 2 77 378.498 8

Activity (Go SEA)

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