UCSF

ZINC09833347

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 32 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) 5.40 14.28 -42.96 2 5 0 71 426.516 9
Hi High (pH 8-9.5) 5.40 12.93 -58.19 1 5 -1 66 425.508 9

Activity (Go SEA)

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