UCSF

ZINC35115378

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) -0.04 -1.03 -52.17 1 7 -1 101 319.384 5
Lo Low (pH 4.5-6) -0.04 1.26 -70.28 2 7 0 102 320.392 5

Activity (Go SEA)

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