UCSF

ZINC38609931

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 38 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) 4.87 10.49 -15.79 2 8 0 101 512.61 11
Mid Mid (pH 6-8) 4.87 11.25 -55.22 1 8 -1 103 511.602 11

Activity (Go SEA)

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