UCSF

ZINC43912558

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 3.69 -109.89 3 6 2 58 304.431 8
Hi High (pH 8-9.5) 0.62 0.24 -4.94 1 6 0 52 302.415 8
Hi High (pH 8-9.5) 0.62 2.72 -29.54 2 6 1 53 303.423 8
Hi High (pH 8-9.5) 0.62 1.6 -34.04 2 6 1 57 303.423 8

Activity (Go SEA)

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