UCSF

ZINC53631488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 27 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) 0.07 9.81 -45.5 3 9 1 106 361.389 4
Mid Mid (pH 6-8) 0.07 9.35 -17.81 2 9 0 105 360.381 4

Activity (Go SEA)

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