UCSF

ZINC58163416

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 25 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) 3.20 7.16 -11.33 1 5 0 64 335.407 3
Lo Low (pH 4.5-6) 3.20 7.54 -36.16 2 5 1 65 336.415 3

Activity (Go SEA)

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