UCSF

ZINC36615002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 1.40 1.74 -13.37 1 7 0 76 386.424 7
Lo Low (pH 4.5-6) 1.40 3.67 -49.9 2 7 1 78 387.432 7

Activity (Go SEA)

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