UCSF

ZINC36913147

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 2.03 8.99 -48.44 0 5 -1 80 280.307 2
Lo Low (pH 4.5-6) 2.03 9.4 -66.22 1 5 0 81 281.315 2

Activity (Go SEA)

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