UCSF

ZINC37848038

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.81 3.47 -44.67 4 4 1 66 294.415 8
Hi High (pH 8-9.5) 1.81 2.06 -6.58 3 4 0 62 293.407 8

Activity (Go SEA)

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