UCSF

ZINC01750636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 35 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) 6.62 12.82 -16.34 1 7 0 86 485.565 6
Mid Mid (pH 6-8) 7.07 11.02 -57.19 0 7 -1 89 484.557 6
Mid Mid (pH 6-8) 7.07 9.71 -54.84 0 7 -1 89 484.557 6
Lo Low (pH 4.5-6) 6.62 13.14 -34.6 2 7 1 87 486.573 6
Lo Low (pH 4.5-6) 6.62 11.96 -35.59 2 7 1 87 486.573 6

Activity (Go SEA)

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