UCSF

ZINC21794451

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 0.19 3.72 -53.64 3 5 1 79 267.312 4
Hi High (pH 8-9.5) 0.19 3.38 -9.73 2 5 0 78 266.304 4
Lo Low (pH 4.5-6) 0.19 4.26 -99.04 4 5 2 81 268.32 4

Activity (Go SEA)

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

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