UCSF

ZINC64490573

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2011 35 No

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) 9.79 19.01 -8.15 2 4 0 67 490.769 25
Hi High (pH 8-9.5) 9.79 20.08 -49.93 1 4 -1 70 489.761 25

Activity (Go SEA)

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