UCSF

ZINC43411455

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.46 2.55 -40.86 3 4 1 49 267.393 7
Mid Mid (pH 6-8) 1.46 3.29 -33.08 3 4 1 46 267.393 7
Lo Low (pH 4.5-6) 1.46 4.65 -116.61 4 4 2 51 268.401 7

Activity (Go SEA)

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