UCSF

ZINC41287535

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 18 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) 0.86 2.93 -18.64 2 5 0 67 247.298 5
Mid Mid (pH 6-8) 0.86 3.22 -32.04 3 5 1 68 248.306 5

Activity (Go SEA)

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