UCSF

ZINC08991272

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 29 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) 4.06 1.11 -53.81 1 5 1 56 405.861 3
Lo Low (pH 4.5-6) 4.06 1.17 -132.48 2 5 2 58 406.869 3

Activity (Go SEA)

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