UCSF

ZINC35499167

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 1.91 6.19 -49.63 2 6 1 51 406.522 11
Hi High (pH 8-9.5) 1.91 5.5 -7.52 1 6 0 50 405.514 11
Lo Low (pH 4.5-6) 1.91 7.76 -50.89 2 6 1 51 406.522 11

Activity (Go SEA)

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