UCSF

ZINC37265933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 1.01 2.76 -48.3 3 3 1 40 320.276 4
Hi High (pH 8-9.5) 1.01 2.7 -3.69 2 3 0 38 319.268 4

Activity (Go SEA)

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