UCSF

ZINC20516798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 36 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.91 15.58 -60 2 6 1 64 482.652 7
Hi High (pH 8-9.5) 4.91 13.28 -16.98 1 6 0 63 481.644 7

Activity (Go SEA)

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