UCSF

ZINC34938616

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) 0.90 3.16 -34.24 3 3 1 46 183.275 5
Hi High (pH 8-9.5) 0.90 2.15 -7.12 2 3 0 41 182.267 5
Hi High (pH 8-9.5) 1.09 0.7 -29.15 2 3 0 52 182.267 5

Activity (Go SEA)

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