UCSF

ZINC08441709

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 39 No

Other Names:

MFCD04088595

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) 6.70 0.56 -16.09 1 7 0 92 536.609 7
Mid Mid (pH 6-8) 6.12 0.37 -20.13 0 7 0 89 536.609 7

Activity (Go SEA)

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