UCSF

ZINC34959678

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 0.98 -0.03 -10.02 1 5 0 67 257.311 2
Hi High (pH 8-9.5) 0.98 0.74 -43.74 0 5 -1 70 256.303 2

Activity (Go SEA)

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