UCSF

ZINC13799610

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 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) 4.79 9.23 -53.46 2 7 0 86 432.476 6
Mid Mid (pH 6-8) 4.86 7.87 -38.86 3 7 1 87 433.484 7
Mid Mid (pH 6-8) 4.86 7.45 -13.09 2 7 0 86 432.476 7

Activity (Go SEA)

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