UCSF

ZINC17169072

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 30 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 5.59 -18.86 2 7 0 97 445.928 8
Mid Mid (pH 6-8) 3.10 5.66 -51.28 1 7 -1 99 444.92 8
Lo Low (pH 4.5-6) 3.10 6.03 -56.85 3 7 1 99 446.936 8

Activity (Go SEA)

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