UCSF

ZINC20878998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 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) 5.58 11.47 -57.66 1 4 -1 61 360.433 7
Lo Low (pH 4.5-6) 5.58 10.36 -12.01 2 4 0 59 361.441 7

Activity (Go SEA)

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