UCSF

ZINC36145952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 2.89 7.43 -42.49 2 4 1 46 307.389 8
Hi High (pH 8-9.5) 2.89 4.99 -8.39 1 4 0 45 306.381 8

Activity (Go SEA)

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