UCSF

ZINC42962823

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 2.59 6.25 -56.18 3 4 1 70 283.351 5
Hi High (pH 8-9.5) 2.59 6.04 -6.79 2 4 0 68 282.343 5

Activity (Go SEA)

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