UCSF

ZINC08845342

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 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) 5.69 11.13 -10.52 2 5 0 69 461.924 4
Hi High (pH 8-9.5) 5.69 11.71 -52.63 1 5 -1 72 460.916 4

Activity (Go SEA)

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