UCSF

ZINC37827853

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.17 2.83 -51.09 1 7 -1 93 284.336 7
Mid Mid (pH 6-8) -0.17 4.97 -71.51 2 7 0 94 285.344 7
Lo Low (pH 4.5-6) -0.17 2.99 -49.22 3 7 1 91 286.352 7

Activity (Go SEA)

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