UCSF

ZINC34691321

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 30 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) 1.25 4.31 -13.59 1 8 0 81 424.538 10
Mid Mid (pH 6-8) 1.25 6.62 -50.24 2 8 1 82 425.546 10

Activity (Go SEA)

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