UCSF

ZINC08996645

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 36 No

Download: MOL2 SDF SMILES Flexibase

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) 5.17 12.73 -56.25 0 8 -1 113 501.54 7
Mid Mid (pH 6-8) 5.62 12.85 -19.58 1 8 0 110 502.548 6

Activity (Go SEA)

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