UCSF

ZINC36644178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 3.27 10.46 -15.46 2 6 0 76 344.422 7
Mid Mid (pH 6-8) 3.27 10.92 -37.53 3 6 1 77 345.43 7
Lo Low (pH 4.5-6) 3.27 11.39 -68.42 4 6 2 78 346.438 7

Activity (Go SEA)

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