UCSF

ZINC37803750

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.33 4.03 -57.76 4 6 1 94 309.415 7
Hi High (pH 8-9.5) 0.79 1.26 -82.48 3 6 0 97 308.407 7

Activity (Go SEA)

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