UCSF

ZINC16677146

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.10 -0.53 -21.19 1 9 0 113 445.563 6
Mid Mid (pH 6-8) 1.10 1.6 -51.21 2 9 1 114 446.571 6

Activity (Go SEA)

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