UCSF

ZINC20171995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 25 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) 1.29 0.47 -43.55 2 7 -1 115 341.274 2
Hi High (pH 8-9.5) 1.29 1.27 -96.99 1 7 -2 118 340.266 2
Lo Low (pH 4.5-6) 0.83 2.24 -13.47 3 7 0 112 342.282 2

Activity (Go SEA)

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