UCSF

ZINC45647926

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) -0.71 3.76 -60.7 3 6 1 91 315.415 8
Hi High (pH 8-9.5) -0.71 3.45 -11.25 2 6 0 90 314.407 8

Activity (Go SEA)

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