UCSF

ZINC34677804

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 2.01 6.42 -49.29 2 9 1 87 486.637 10
Mid Mid (pH 6-8) 2.01 4.16 -10.8 1 9 0 86 485.629 10

Activity (Go SEA)

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