UCSF

ZINC34320729

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 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) 2.50 6.1 -47.62 2 3 1 33 234.348 2
Hi High (pH 8-9.5) 2.50 4.66 -7.45 1 3 0 28 233.34 2

Activity (Go SEA)

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