UCSF

ZINC34851642

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 38 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) 5.62 12.6 -46.14 3 10 -1 133 511.541 6
Mid Mid (pH 6-8) 5.17 13.74 -20.62 4 10 0 130 512.549 6

Activity (Go SEA)

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