UCSF

ZINC41232110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 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) 2.29 5.79 -38.13 2 2 1 20 219.352 4
Lo Low (pH 4.5-6) 2.29 7.99 -113.16 3 2 2 21 220.36 4

Activity (Go SEA)

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