UCSF

ZINC34824307

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 1.16 7.67 -101.63 3 5 2 42 281.448 4
Hi High (pH 8-9.5) 1.16 6.62 -39.26 2 5 1 38 280.44 4

Activity (Go SEA)

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