UCSF

ZINC36184115

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 4.03 10.99 -17.44 1 7 0 82 431.587 10
Hi High (pH 8-9.5) 4.21 9.76 -47.93 0 7 -1 88 430.579 10

Activity (Go SEA)

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