UCSF

ZINC37858107

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 28 No

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) 1.84 5.81 -12.06 0 6 0 68 371.396 3
Mid Mid (pH 6-8) 1.84 8.66 -47.85 1 6 1 70 372.404 3
Lo Low (pH 4.5-6) 1.84 6.55 -42.42 1 6 1 70 372.404 3

Activity (Go SEA)

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