UCSF

ZINC37142581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 1.38 6 -41.81 2 4 1 37 268.425 3
Mid Mid (pH 6-8) 1.38 4.62 -48.22 2 4 1 40 268.425 3
Lo Low (pH 4.5-6) 1.38 7.01 -117.32 3 4 2 41 269.433 3

Activity (Go SEA)

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