UCSF

ZINC70609653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 1.26 3.03 -43.78 3 3 1 40 227.715 2
Hi High (pH 8-9.5) 1.26 1.65 -3.97 2 3 0 35 226.707 2

Activity (Go SEA)

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