UCSF

ZINC19362916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 Yes

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) 3.10 7.14 -33.02 1 3 1 17 328.274 4
Mid Mid (pH 6-8) 3.10 7.18 -32.99 1 3 1 17 328.274 4
Mid Mid (pH 6-8) 3.10 4.86 -3.22 0 3 0 16 327.266 4

Activity (Go SEA)

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