UCSF

ZINC42913845

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 0.94 5.83 -125.47 4 3 2 41 268.376 4
Hi High (pH 8-9.5) 0.94 5.53 -38.77 3 3 1 40 267.368 4
Mid Mid (pH 6-8) 0.94 4.47 -48.11 3 3 1 40 267.368 4

Activity (Go SEA)

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