UCSF

ZINC27901500

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 26 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) 3.48 5.97 -45.15 3 5 1 74 356.442 9
Mid Mid (pH 6-8) 3.48 3.47 -14.38 2 5 0 70 355.434 9

Activity (Go SEA)

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