UCSF

ZINC39869930

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 No

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) 5.41 13.41 -236.58 0 11 -3 183 490.429 7
Mid Mid (pH 6-8) 5.41 13.83 -157.76 1 11 -2 181 491.437 7

Activity (Go SEA)

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