UCSF

ZINC26822017

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 22 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) 2.80 6.42 -6.09 0 3 0 30 291.398 4
Lo Low (pH 4.5-6) 2.80 8.79 -49.12 1 3 1 31 292.406 4

Activity (Go SEA)

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