UCSF

ZINC44828244

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 15 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) 0.47 4.89 -50.41 2 4 1 57 208.285 3
Hi High (pH 8-9.5) 0.65 3.01 -37.49 1 4 0 64 207.277 3

Activity (Go SEA)

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