UCSF

ZINC20899064

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 No

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) 1.18 7.5 -17.75 1 7 0 86 394.456 1
Hi High (pH 8-9.5) 1.53 7.49 -39.89 1 7 -1 92 393.448 2

Activity (Go SEA)

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