UCSF

ZINC16737054

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 39 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) 4.60 12.98 -60.76 0 7 -1 92 519.577 9
Mid Mid (pH 6-8) 5.04 12.03 -31.27 1 7 0 89 520.585 8
Mid Mid (pH 6-8) 4.01 13.02 -23.73 0 7 0 86 520.585 9
Lo Low (pH 4.5-6) 5.04 12.31 -64.94 2 7 1 90 521.593 8
Lo Low (pH 4.5-6) 4.01 13.3 -66.07 1 7 1 87 521.593 9

Activity (Go SEA)

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