UCSF

ZINC21704550

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 2.88 8.76 -47.26 1 8 0 95 451.552 6
Hi High (pH 8-9.5) 2.88 6.55 -51.38 0 8 -1 94 450.544 6
Mid Mid (pH 6-8) 3.06 7.54 -21.21 1 8 0 88 451.552 6
Lo Low (pH 4.5-6) 3.06 9.84 -66.19 2 8 1 89 452.56 6

Activity (Go SEA)

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