UCSF

ZINC36754752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.97 3.29 -45.14 4 4 1 60 327.246 3
Lo Low (pH 4.5-6) 1.97 5.48 -109.05 5 4 2 61 328.254 3

Activity (Go SEA)

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