UCSF

ZINC36170717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.47 7.05 -101.36 4 3 2 35 291.483 6
Hi High (pH 8-9.5) 2.47 4.85 -46.56 3 3 1 34 290.475 6
Mid Mid (pH 6-8) 2.47 6.76 -127.54 4 3 2 35 291.483 6

Activity (Go SEA)

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