UCSF

ZINC09560810

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 34 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) 1.67 8.44 -12.79 2 7 0 87 454.53 7
Lo Low (pH 4.5-6) 1.67 8.91 -49.56 3 7 1 89 455.538 7

Activity (Go SEA)

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