UCSF

ZINC37076030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.82 7.66 -29.8 2 4 1 39 284.383 5
Hi High (pH 8-9.5) 2.82 7.3 -7.01 1 4 0 37 283.375 5

Activity (Go SEA)

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