UCSF

ZINC13672206

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 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) 0.99 5.09 -52.81 2 7 1 83 293.347 5
Mid Mid (pH 6-8) 0.99 4.96 -57.92 2 7 1 83 293.347 5
Mid Mid (pH 6-8) 0.99 2.62 -18.52 1 7 0 81 292.339 5

Activity (Go SEA)

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