UCSF

ZINC41666818

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 4.51 11.67 -18.97 0 8 0 87 495.572 11
Mid Mid (pH 6-8) 4.51 14.55 -59.99 1 8 1 89 496.58 11

Activity (Go SEA)

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