UCSF

ZINC34225177

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 32 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) 6.42 15.84 -43.64 1 3 1 17 449.581 11
Hi High (pH 8-9.5) 6.42 13.8 -4.52 0 3 0 16 448.573 11

Activity (Go SEA)

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