UCSF

ZINC62074600

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 24 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) 3.31 10.12 -32.67 2 3 1 34 327.423 5
Mid Mid (pH 6-8) 3.31 7.87 -8.41 1 3 0 32 326.415 5

Activity (Go SEA)

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