UCSF

ZINC35040270

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 2.55 9.04 -32.57 1 3 1 31 236.335 6
Hi High (pH 8-9.5) 2.55 6.56 -10.27 0 3 0 30 235.327 6

Activity (Go SEA)

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