UCSF

ZINC35485991

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 37 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) 3.65 10.49 -14.5 0 8 0 81 504.583 10
Mid Mid (pH 6-8) 3.65 12.76 -50.1 1 8 1 83 505.591 10

Activity (Go SEA)

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