UCSF

ZINC37988935

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 1.74 7.49 -54.85 2 5 1 57 303.72 6
Mid Mid (pH 6-8) 1.74 6.11 -14.78 1 5 0 52 302.712 6

Activity (Go SEA)

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