UCSF

ZINC12565072

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 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) 3.32 10.68 -12.04 0 6 0 39 454.59 8
Lo Low (pH 4.5-6) 3.32 11.43 -27.04 1 6 0 40 455.598 8

Activity (Go SEA)

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