UCSF

ZINC23562021

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2009 32 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) 4.30 11.54 -21.59 1 8 0 95 463.544 7
Hi High (pH 8-9.5) 4.49 10.47 -50.73 0 8 -1 101 462.536 7

Activity (Go SEA)

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