UCSF

ZINC30982060

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 31 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) 2.22 4.97 -26.62 4 9 0 129 444.513 10
Hi High (pH 8-9.5) 2.28 4.04 -61.03 3 9 -1 135 443.505 10

Activity (Go SEA)

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