UCSF

ZINC42453397

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.93 3.33 -10.27 1 4 0 49 195.266 5
Lo Low (pH 4.5-6) 0.93 3.34 -24.26 2 4 1 50 196.274 5

Activity (Go SEA)

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