UCSF

ZINC34665685

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 3.87 9.19 -53.72 2 3 1 50 285.342 5
Hi High (pH 8-9.5) 3.87 8.01 -11.77 1 3 0 45 284.334 5

Activity (Go SEA)

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