UCSF

ZINC33808940

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 6.36 12.32 -13.81 1 6 0 81 456.523 4
Hi High (pH 8-9.5) 6.36 13.25 -47.88 0 6 -1 84 455.515 4

Activity (Go SEA)

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