UCSF

ZINC04945234

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 26 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) 0.00 9.36 -56.62 2 9 1 91 361.426 4
Mid Mid (pH 6-8) 0.00 9.84 -108.54 3 9 2 92 362.434 4

Activity (Go SEA)

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