UCSF

ZINC37831648

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) 0.85 7.9 -49.49 1 5 0 65 278.352 2
Mid Mid (pH 6-8) 0.85 5.64 -47.94 0 5 -1 64 277.344 2
Lo Low (pH 4.5-6) 0.85 6.26 -43.17 2 5 1 62 279.36 2

Activity (Go SEA)

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