UCSF

ZINC53138791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 1.88 6.59 -5.97 0 5 0 42 292.379 7
Mid Mid (pH 6-8) 1.88 8.86 -38.11 1 5 1 43 293.387 7

Activity (Go SEA)

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