UCSF

ZINC50407551

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2010 18 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) 3.13 9.28 -8.2 2 4 0 57 246.358 4
Lo Low (pH 4.5-6) 3.13 9.67 -26.19 3 4 1 58 247.366 4

Activity (Go SEA)

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