UCSF

ZINC14112408

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2008 21 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) 1.77 6.49 -17.05 1 5 0 66 303.387 3
Hi High (pH 8-9.5) 2.23 3.72 -60.25 0 5 -1 69 302.379 3

Activity (Go SEA)

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