UCSF

ZINC37856268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.33 0.03 -91.71 0 5 -2 84 337.209 3
Mid Mid (pH 6-8) 3.33 -0.76 -36.06 1 5 -1 81 338.217 3
Lo Low (pH 4.5-6) 2.87 2.12 -9.24 2 5 0 79 339.225 3

Activity (Go SEA)

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