UCSF

ZINC49707105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.13 0.14 -17.21 1 7 0 87 375.516 6
Mid Mid (pH 6-8) 1.13 2.35 -57.54 2 7 1 88 376.524 6

Activity (Go SEA)

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