UCSF

ZINC44804902

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 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) 1.04 3.54 -42.92 3 4 1 51 254.398 6
Mid Mid (pH 6-8) 1.04 5.76 -102.5 4 4 2 52 255.406 6

Activity (Go SEA)

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