UCSF

ZINC31182629

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 25 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) 4.54 9.68 -15.51 1 3 0 42 366.339 4
Hi High (pH 8-9.5) 4.61 8.78 -48.06 0 3 -1 48 365.331 4

Activity (Go SEA)

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