UCSF

ZINC36991983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 5.55 11.21 -40.78 2 1 1 17 329.316 6
Hi High (pH 8-9.5) 5.55 10.3 -2.39 1 1 0 12 328.308 6

Activity (Go SEA)

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