UCSF

ZINC20135151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 34 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) 2.35 6.9 -59.61 0 8 -1 91 465.526 8
Mid Mid (pH 6-8) 2.35 9.25 -74.43 1 8 0 93 466.534 8
Lo Low (pH 4.5-6) 2.35 8.43 -58.03 2 8 1 90 467.542 8

Activity (Go SEA)

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