UCSF

ZINC21664280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 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) 3.11 6.69 -54.16 3 7 1 86 466.027 8
Hi High (pH 8-9.5) 3.11 6.76 -68.41 2 7 0 88 465.019 8
Hi High (pH 8-9.5) 3.11 5.34 -41.04 1 7 -1 84 464.011 8

Activity (Go SEA)

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