UCSF

ZINC35282812

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 33 No

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) 3.75 11.09 -77.55 1 7 0 83 452.551 11
Lo Low (pH 4.5-6) 3.75 10.33 -55.87 2 7 1 81 453.559 11

Activity (Go SEA)

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