UCSF

ZINC36552874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 7.33 13.3 -7.83 1 2 0 29 399.708 3
Lo Low (pH 4.5-6) 7.33 13.84 -32.59 2 2 1 30 400.716 3

Activity (Go SEA)

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