UCSF

ZINC38609760

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 34 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) 5.35 10.44 -13.15 2 7 0 88 461.562 11
Mid Mid (pH 6-8) 5.35 11.21 -52.73 1 7 -1 91 460.554 11

Activity (Go SEA)

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