UCSF

ZINC37140262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 4.26 5.24 -45.77 4 3 1 57 306.813 6
Hi High (pH 8-9.5) 4.26 6 -34.04 3 3 0 60 305.805 6

Activity (Go SEA)

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