UCSF

ZINC02791913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 34 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) 4.93 12.78 -51.88 1 7 -1 70 485.515 6
Mid Mid (pH 6-8) 4.38 12.67 -51.13 3 7 1 78 487.531 6
Lo Low (pH 4.5-6) 4.20 12.32 -15.12 2 7 0 73 486.523 6

Activity (Go SEA)

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