UCSF

ZINC23318568

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 30 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) 3.07 13.58 -47.47 1 7 1 54 408.574 8
Hi High (pH 8-9.5) 3.07 11.27 -11.5 0 7 0 53 407.566 8
Lo Low (pH 4.5-6) 3.07 15.94 -133.14 2 7 2 55 409.582 8

Activity (Go SEA)

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