UCSF

ZINC34665519

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 4.35 10.04 -37.62 2 3 1 50 281.379 6
Hi High (pH 8-9.5) 4.35 9.08 -9.26 1 3 0 45 280.371 6

Activity (Go SEA)

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