UCSF

ZINC68535339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2011 27 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) 2.01 11.53 -47.29 1 5 1 37 368.501 6
Hi High (pH 8-9.5) 2.01 9.05 -10.18 0 5 0 36 367.493 6

Activity (Go SEA)

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