UCSF

ZINC37999276

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 3.26 9.49 -41.06 2 4 1 42 291.463 6
Mid Mid (pH 6-8) 3.26 9.98 -78.59 3 4 2 43 292.471 6

Activity (Go SEA)

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