UCSF

ZINC37828619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.35 5.96 -51.23 0 6 -1 81 267.305 3
Lo Low (pH 4.5-6) 0.35 3.96 -13.16 1 6 0 78 268.313 3

Activity (Go SEA)

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