UCSF

ZINC04067983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 37 No

Other Names:

MFCD01446357

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) 5.94 1.94 -15.27 0 7 0 83 505.611 9
Mid Mid (pH 6-8) 6.12 0.82 -15.37 0 7 0 83 505.611 9
Mid Mid (pH 6-8) 5.94 1.68 -17.01 0 7 0 83 505.611 9

Activity (Go SEA)

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