UCSF

ZINC58393444

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.29 5.61 -45.32 3 5 1 67 318.422 4
Hi High (pH 8-9.5) 2.29 3.9 -11.3 2 5 0 65 317.414 4

Activity (Go SEA)

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