UCSF

ZINC44686862

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.93 8.86 -40.89 2 2 1 16 293.431 3
Hi High (pH 8-9.5) 1.93 6.52 -5.12 1 2 0 15 292.423 3

Activity (Go SEA)

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