UCSF

ZINC20392709

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 33 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) 3.65 6.58 -50.91 2 8 1 80 487.675 3
Hi High (pH 8-9.5) 3.65 5.16 -9.33 1 8 0 76 486.667 3

Activity (Go SEA)

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