UCSF

ZINC31769440

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 21 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) -4.60 -1.32 -170.96 12 9 2 191 304.395 11
Hi High (pH 8-9.5) -4.60 -1.66 -116.88 11 9 1 189 303.387 11

Activity (Go SEA)

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