UCSF

ZINC44277627

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 1.71 4.05 -45.02 4 6 1 75 293.391 7
Hi High (pH 8-9.5) 1.71 1.58 -9.74 3 6 0 73 292.383 7

Activity (Go SEA)

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