UCSF

ZINC20145799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.75 6.33 -38.42 3 3 1 40 291.459 5
Mid Mid (pH 6-8) 3.75 7.22 -45.27 3 3 1 37 291.459 5
Lo Low (pH 4.5-6) 3.75 8.5 -125.4 4 3 2 41 292.467 5

Activity (Go SEA)

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