UCSF

ZINC01551154

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 23 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) 2.28 -0.69 -11.91 1 7 0 82 322.409 8
Mid Mid (pH 6-8) -2.21 -0.41 -48.99 2 7 1 83 323.417 8

Activity (Go SEA)

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