UCSF

ZINC35815430

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 33 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) 4.03 10.56 -21.71 2 7 0 91 468.623 9
Hi High (pH 8-9.5) 3.84 9.88 -59.79 1 7 -1 98 467.615 9

Activity (Go SEA)

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