UCSF

ZINC37833807

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 3.37 10.21 -54.55 0 4 -1 60 329.203 5
Lo Low (pH 4.5-6) 3.37 8.21 -11.04 1 4 0 58 330.211 5

Activity (Go SEA)

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