UCSF

ZINC34959447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 1.93 13.63 -42.02 4 8 1 107 455.542 6
Hi High (pH 8-9.5) 1.93 11.14 -9.27 3 8 0 106 454.534 6

Activity (Go SEA)

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