UCSF

ZINC33745328

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 1.93 7.51 -28.07 2 10 0 119 510.572 11
Hi High (pH 8-9.5) 1.75 6.44 -56.12 1 10 -1 125 509.564 11

Activity (Go SEA)

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