UCSF

ZINC00985847

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 32 No

Other Names:

MFCD02946927

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) 5.36 9.57 -8.88 3 5 0 88 420.516 4
Lo Low (pH 4.5-6) 5.36 10.02 -56.69 4 5 1 89 421.524 4

Activity (Go SEA)

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