UCSF

ZINC01115725

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 27 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) 3.84 -4.92 -12.03 2 7 0 97 451.298 6
Hi High (pH 8-9.5) 3.84 -4.34 -44.75 1 7 -1 99 450.29 6

Activity (Go SEA)

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