UCSF

ZINC35609695

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 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) 2.40 1.06 -7.69 1 5 0 61 373.689 4
Lo Low (pH 4.5-6) 2.40 3.35 -41.03 2 5 1 62 374.697 4

Activity (Go SEA)

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