UCSF

ZINC08827743

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 32 No

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) 5.59 12.23 -53.41 0 5 -1 73 463.535 5
Mid Mid (pH 6-8) 5.00 -0.63 -16.34 0 5 0 67 464.543 5

Activity (Go SEA)

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