UCSF

ZINC30958825

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 27 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) 4.67 10.48 -46.86 2 5 1 52 434.354 6
Hi High (pH 8-9.5) 4.67 8.13 -12.11 1 5 0 51 433.346 6

Activity (Go SEA)

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