UCSF

ZINC36997087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 0.93 3.05 -43.71 2 4 1 51 273.422 2
Mid Mid (pH 6-8) 0.93 2.04 -55.21 2 4 1 54 273.422 2
Lo Low (pH 4.5-6) 0.93 4.29 -133.92 3 4 2 55 274.43 2

Activity (Go SEA)

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