UCSF

ZINC12318537

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 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) 3.98 0.48 -93.46 2 5 2 42 428.665 7
Lo Low (pH 4.5-6) 3.98 0.6 -171.86 3 5 3 43 429.673 7

Activity (Go SEA)

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