UCSF

ZINC36359726

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 22 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) 2.44 6.78 -8.66 1 4 0 50 313.357 2
Ref Reference (pH 7) 2.26 9.46 -9.23 1 4 0 47 313.357 2
Mid Mid (pH 6-8) 2.26 9.92 -44.04 2 4 1 48 314.365 2

Activity (Go SEA)

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