UCSF

ZINC35311288

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 20 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) 2.03 7.64 -45.02 2 5 1 59 313.472 6
Hi High (pH 8-9.5) 2.03 5.17 -13.9 1 5 0 58 312.464 6
Hi High (pH 8-9.5) 2.22 6.19 -61.17 1 5 0 66 312.464 6

Activity (Go SEA)

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