UCSF

ZINC31867111

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) 1.95 7.27 -47.89 2 5 1 59 325.483 7
Hi High (pH 8-9.5) 1.95 4.73 -12.22 1 5 0 58 324.475 7

Activity (Go SEA)

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