UCSF

ZINC35176765

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 19 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) 3.07 7.92 -116.25 4 2 2 32 266.473 2
Hi High (pH 8-9.5) 3.07 7.64 -24.01 3 2 1 30 265.465 2
Hi High (pH 8-9.5) 3.07 7 -44.83 3 2 1 31 265.465 2

Activity (Go SEA)

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