UCSF

ZINC37491671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 37 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) 3.76 5.86 -15.46 4 9 0 115 524.984 7
Mid Mid (pH 6-8) 3.76 8.14 -47.41 5 9 1 116 525.992 7

Activity (Go SEA)

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