UCSF

ZINC18054376

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 5.38 7.55 -8.12 1 4 0 54 344.823 3
Mid Mid (pH 6-8) 4.89 7.47 -40.39 0 4 -1 53 343.815 4
Lo Low (pH 4.5-6) 4.88 7.93 -14.23 1 4 0 51 344.823 4

Activity (Go SEA)

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