UCSF

ZINC44684610

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.81 8.87 -37.09 2 2 1 16 275.441 3
Hi High (pH 8-9.5) 1.81 6.52 -2.85 1 2 0 15 274.433 3
Hi High (pH 8-9.5) 1.81 7.25 -42.36 2 2 1 20 275.441 3

Activity (Go SEA)

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