UCSF

ZINC35747748

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.80 6.78 -58.44 3 6 1 80 376.502 7
Hi High (pH 8-9.5) 1.80 4.46 -17.03 2 6 0 78 375.494 7
Hi High (pH 8-9.5) 2.26 4.1 -51.63 2 6 0 83 375.494 7

Activity (Go SEA)

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