UCSF

ZINC37120758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 4.47 6.67 -53.28 2 4 -1 72 325.171 4
Mid Mid (pH 6-8) 4.47 7.42 -91.37 1 4 -2 75 324.163 4
Lo Low (pH 4.5-6) 4.47 4.7 -9.28 3 4 0 70 326.179 4

Activity (Go SEA)

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