UCSF

ZINC27060950

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 31 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) 3.80 11.07 -45.28 2 6 1 63 436.605 5
Mid Mid (pH 6-8) 3.80 8.76 -8.47 1 6 0 61 435.597 5

Activity (Go SEA)

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