UCSF

ZINC48324694

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 32 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 10.17 -17.78 0 7 0 63 435.572 10
Mid Mid (pH 6-8) 3.47 12.38 -47.26 1 7 1 64 436.58 10

Activity (Go SEA)

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