UCSF

ZINC04280081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 26 No

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) 1.16 9.15 -71.62 4 9 1 136 367.426 12
Mid Mid (pH 6-8) 1.16 7.01 -32.31 3 9 0 135 366.418 12

Activity (Go SEA)

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