UCSF

ZINC08973160

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 32 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) 3.20 0 -43.2 2 6 1 71 439.507 6
Mid Mid (pH 6-8) 2.61 -0.08 -50.73 1 6 1 68 439.507 6

Activity (Go SEA)

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