UCSF

ZINC06785105

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 30 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) 3.53 12.17 -47.18 2 5 1 62 405.518 8
Mid Mid (pH 6-8) 2.95 12.66 -43.52 1 5 1 59 405.518 9

Activity (Go SEA)

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