UCSF

ZINC08829432

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 No

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) 3.88 12.7 -16.13 1 5 0 66 422.484 4
Hi High (pH 8-9.5) 4.96 11.05 -60.09 0 5 -1 73 421.476 4

Activity (Go SEA)

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