UCSF

ZINC40974092

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 31 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) 3.27 6.37 -49.66 3 7 1 88 425.505 7
Hi High (pH 8-9.5) 3.27 4.11 -14.08 2 7 0 86 424.497 7
Mid Mid (pH 6-8) 3.27 6.49 -46.15 3 7 1 88 425.505 7

Activity (Go SEA)

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