UCSF

ZINC31933748

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.04 5.38 -52.33 3 5 1 72 308.427 5
Mid Mid (pH 6-8) 2.04 3.95 -11.51 2 5 0 67 307.419 5

Activity (Go SEA)

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