UCSF

ZINC00173807

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 25 No

Other Names:

MFCD01051638

Download: MOL2 SDF SMILES Flexibase

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) 3.85 9.5 -16.16 0 3 0 47 327.383 1
Mid Mid (pH 6-8) 4.12 10.09 -14.9 0 3 0 47 327.383 1

Activity (Go SEA)

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