UCSF

ZINC37849149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.97 5.97 -41.11 3 3 1 46 284.395 9
Hi High (pH 8-9.5) 2.97 4.53 -6.6 2 3 0 41 283.387 9

Activity (Go SEA)

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