UCSF

ZINC45966899

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 29 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) 0.89 5.66 -17.03 1 8 0 80 407.511 10
Mid Mid (pH 6-8) 0.89 6.95 -59.2 2 8 1 85 408.519 10

Activity (Go SEA)

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