UCSF

ZINC44804874

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 20 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) 1.67 3.97 -48.39 3 4 1 51 282.452 7
Mid Mid (pH 6-8) 1.67 6.19 -111.91 4 4 2 52 283.46 7

Activity (Go SEA)

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