UCSF

ZINC16399449

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 21 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) 2.67 3.05 -18.24 3 5 0 89 317.395 4
Mid Mid (pH 6-8) 3.13 1.81 -47.58 2 5 -1 92 316.387 4

Activity (Go SEA)

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