UCSF

ZINC43411214

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.91 3.98 -42.62 3 4 1 49 336.283 8
Mid Mid (pH 6-8) 2.91 4.86 -32.7 3 4 1 46 336.283 8
Lo Low (pH 4.5-6) 2.91 6.11 -116.14 4 4 2 51 337.291 8

Activity (Go SEA)

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