UCSF

ZINC24196126

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 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) 5.02 13.02 -15.7 1 7 0 86 490.589 6
Hi High (pH 8-9.5) 5.20 11.95 -42.37 0 7 -1 92 489.581 6

Activity (Go SEA)

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