UCSF

ZINC13408317

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 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) 2.64 5.68 -44.9 1 3 -1 60 317.449 0
Mid Mid (pH 6-8) 3.93 5.02 -18.33 2 3 0 58 318.457 1
Mid Mid (pH 6-8) 3.35 5.69 -8.99 1 3 0 54 318.457 1

Activity (Go SEA)

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