UCSF

ZINC00628038

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 Yes

Other Names:

MFCD04091389

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) 5.16 -7.27 -14.41 2 7 0 101 501.413 7
Hi High (pH 8-9.5) 5.16 -6.11 -93.96 0 7 -2 105 499.397 7
Hi High (pH 8-9.5) 5.16 -6.68 -41.9 1 7 -1 103 500.405 7
Hi High (pH 8-9.5) 5.16 -6.69 -45.01 1 7 -1 103 500.405 7

Activity (Go SEA)

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