UCSF

ZINC33736644

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 24 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) 4.14 7.06 -11.45 2 5 0 91 319.316 4
Hi High (pH 8-9.5) 4.14 8.06 -48.68 1 5 -1 93 318.308 4

Activity (Go SEA)

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