UCSF

ZINC31869630

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 2.69 9.6 -40.19 1 5 1 47 360.503 6
Hi High (pH 8-9.5) 2.69 7.07 -9.5 0 5 0 46 359.495 6

Activity (Go SEA)

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