UCSF

ZINC09067040

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 2.90 8.9 -57.74 0 7 -1 92 437.516 10
Mid Mid (pH 6-8) 3.35 9.3 -13.35 1 7 0 89 438.524 9
Lo Low (pH 4.5-6) 3.35 9.58 -49 2 7 1 90 439.532 9

Activity (Go SEA)

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