UCSF

ZINC28087513

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 45 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) -1.52 -2.86 -49.27 11 15 1 254 629.691 18
Mid Mid (pH 6-8) -1.52 -3.27 -17.13 10 15 0 252 628.683 18

Activity (Go SEA)

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