UCSF

ZINC25371413

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 23 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) 4.00 9.18 -8.35 0 3 0 19 327.428 3
Mid Mid (pH 6-8) 4.00 11.39 -43.09 1 3 1 21 328.436 3

Activity (Go SEA)

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