UCSF

ZINC38609920

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 37 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) 4.53 10.38 -14.81 2 7 0 91 488.547 7
Mid Mid (pH 6-8) 4.53 11.15 -55.02 1 7 -1 94 487.539 7

Activity (Go SEA)

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