UCSF

ZINC34691439

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 25 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) 0.62 2.48 -12.51 1 6 0 62 354.422 8
Mid Mid (pH 6-8) 0.62 4.82 -44.54 2 6 1 63 355.43 8

Activity (Go SEA)

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