UCSF

ZINC58235146

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 15 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) 3.71 5.6 -4.56 1 2 0 21 205.301 1
Lo Low (pH 4.5-6) 3.71 6.07 -38.29 2 2 1 26 206.309 1

Activity (Go SEA)

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