UCSF

ZINC12997185

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 31 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) 2.87 8.3 -47.98 3 8 1 88 426.541 7
Mid Mid (pH 6-8) 2.87 5.83 -14.69 2 8 0 87 425.533 7

Activity (Go SEA)

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