UCSF

ZINC05408805

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 29 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) 1.95 4.88 -58.46 1 8 -1 114 396.375 7
Mid Mid (pH 6-8) 2.40 -0.54 -21.76 2 8 0 111 397.383 6
Mid Mid (pH 6-8) 1.37 -0.53 -27.33 1 8 0 108 397.383 7
Lo Low (pH 4.5-6) 1.95 4.06 -21.85 2 8 0 111 397.383 7

Activity (Go SEA)

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