UCSF

ZINC17195840

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 23 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) 4.17 4.23 -12.7 2 5 0 75 326.377 3
Mid Mid (pH 6-8) 3.68 3.92 -51.09 1 5 -1 74 325.369 4
Lo Low (pH 4.5-6) 3.68 4.63 -18.3 2 5 0 71 326.377 4

Activity (Go SEA)

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