UCSF

ZINC09122232

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 32 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) 1.74 6.31 -57.71 0 10 -1 132 440.432 8
Mid Mid (pH 6-8) 1.16 0.61 -58.03 1 10 1 127 442.448 8
Mid Mid (pH 6-8) 1.74 8.64 -72.45 1 10 0 133 441.44 8

Activity (Go SEA)

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