UCSF

ZINC34652214

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 3.00 10.46 -48.22 2 3 1 34 266.368 4
Lo Low (pH 4.5-6) 3.00 10.94 -83.31 3 3 2 36 267.376 4

Activity (Go SEA)

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