UCSF

ZINC09373712

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 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) 3.57 9.71 -58.15 0 8 -1 109 481.481 7
Mid Mid (pH 6-8) 2.99 1.15 -16.7 0 8 0 102 482.489 7
Mid Mid (pH 6-8) 4.02 10 -27.76 1 8 0 106 482.489 6

Activity (Go SEA)

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