UCSF

ZINC54931218

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 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) 4.21 8.92 -28.38 2 3 1 39 268.384 4
Mid Mid (pH 6-8) 4.21 8.81 -7.12 1 3 0 38 267.376 4
Lo Low (pH 4.5-6) 4.21 8.99 -27.67 2 3 1 39 268.384 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.