UCSF

ZINC03650007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 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) 5.91 13.05 -36.86 2 7 1 75 487.672 5
Hi High (pH 8-9.5) 5.91 12.79 -18.8 1 7 0 74 486.664 5

Activity (Go SEA)

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