UCSF

ZINC01443345

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 21 No

Other Names:

MFCD03884249

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) 2.71 -3.32 -12.05 2 4 0 66 319.769 3
Mid Mid (pH 6-8) 2.13 -3.49 -17.4 1 4 0 63 319.769 3

Activity (Go SEA)

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