UCSF

ZINC00904719

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 32 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) 2.83 -5.31 -17.6 1 9 0 106 479.628 7
Hi High (pH 8-9.5) 2.83 -4.73 -41.04 0 9 -1 108 478.62 7

Activity (Go SEA)

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