UCSF

ZINC35694257

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) -1.26 1.72 -47.34 3 6 1 79 263.321 3
Mid Mid (pH 6-8) -1.26 0.4 -7.03 2 6 0 74 262.313 3
Lo Low (pH 4.5-6) -1.26 2.18 -86.65 4 6 2 80 264.329 3

Activity (Go SEA)

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