UCSF

ZINC33809191

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 17 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) 4.00 8.68 -29.7 1 2 1 14 256.797 6
Hi High (pH 8-9.5) 4.00 6.6 -4.45 0 2 0 12 255.789 6

Activity (Go SEA)

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