UCSF

ZINC16974736

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 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) 3.22 8.61 -65.66 0 5 -1 70 382.411 7
Mid Mid (pH 6-8) 2.64 8.97 -14.55 0 5 0 64 383.419 7
Lo Low (pH 4.5-6) 3.22 7.79 -19.26 1 5 0 67 383.419 7

Activity (Go SEA)

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