UCSF

ZINC49487739

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 20 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) 3.47 6.16 -45.36 0 4 -1 72 305.766 3
Mid Mid (pH 6-8) 3.47 5.71 -11.42 1 4 0 70 306.774 3

Activity (Go SEA)

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