UCSF

ZINC04067392

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 34 No

Other Names:

MFCD01367236

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) 4.78 10.39 -27.58 2 7 0 94 463.53 9
Mid Mid (pH 6-8) 4.90 -2.76 -11.18 1 7 0 94 463.53 9

Activity (Go SEA)

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