UCSF

ZINC41018144

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 21 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) 2.41 6.79 -51.68 1 6 -1 95 391.223 5
Hi High (pH 8-9.5) 2.48 5.99 -94.4 0 6 -2 101 390.215 5

Activity (Go SEA)

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