UCSF

ZINC15919938

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 26 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) 2.08 2.56 -59.26 2 6 -1 101 417.235 5
Mid Mid (pH 6-8) 2.52 2.03 -27.65 3 6 0 98 418.243 4
Mid Mid (pH 6-8) 1.49 3.06 -16.99 2 6 0 95 418.243 5

Activity (Go SEA)

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