UCSF

ZINC15379082

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2008 18 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) 2.53 6.15 -12.7 1 4 0 63 260.318 4
Hi High (pH 8-9.5) 2.99 5.03 -45.37 0 4 -1 66 259.31 4
Mid Mid (pH 6-8) 2.53 5.56 -19.27 1 4 0 63 260.318 4

Activity (Go SEA)

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