UCSF

ZINC10342300

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2007 33 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) 3.74 -9.59 -22.43 3 8 0 121 487.603 9
Hi High (pH 8-9.5) 3.74 -9.01 -58.37 2 8 -1 123 486.595 9

Activity (Go SEA)

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