UCSF

ZINC36982162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 Yes

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) 4.21 9.78 -28.26 2 3 1 29 302.829 4
Hi High (pH 8-9.5) 4.21 9.3 -6.37 1 3 0 28 301.821 4

Activity (Go SEA)

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