UCSF

ZINC60934632

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2011 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.62 7.94 -41.88 0 5 -1 85 386.503 5
Mid Mid (pH 6-8) 4.55 8.15 -14.82 1 5 0 86 387.511 4

Activity (Go SEA)

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