UCSF

ZINC36158648

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 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) 3.87 10.33 -56.67 3 5 1 70 412.579 8
Hi High (pH 8-9.5) 4.32 7.86 -50.89 2 5 0 74 411.571 8

Activity (Go SEA)

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