UCSF

ZINC09604064

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 33 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) 2.46 7.59 -55.56 1 9 1 93 491.615 7
Hi High (pH 8-9.5) 2.46 5.14 -15.03 0 9 0 92 490.607 7

Activity (Go SEA)

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