UCSF

ZINC36358270

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 No

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) 3.00 7.89 -17.53 1 6 0 66 427.863 3
Ref Reference (pH 7) 3.00 7.65 -15 1 6 0 66 427.863 3
Mid Mid (pH 6-8) 3.00 10.07 -61.53 2 6 1 67 428.871 3
Mid Mid (pH 6-8) 3.00 10.08 -64.37 2 6 1 67 428.871 3

Activity (Go SEA)

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