UCSF

ZINC37800970

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.03 0.01 -51.42 4 6 1 80 271.385 6
Mid Mid (pH 6-8) -0.03 -0.33 -14.45 3 6 0 79 270.377 6
Lo Low (pH 4.5-6) -0.03 2.16 -108.74 5 6 2 81 272.393 6

Activity (Go SEA)

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