UCSF

ZINC37870334

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) 0.06 1.24 -31.94 4 4 1 60 212.317 4
Mid Mid (pH 6-8) 0.06 0.09 -41.81 4 4 1 63 212.317 4
Lo Low (pH 4.5-6) 0.06 2.32 -100.42 5 4 2 64 213.325 4

Activity (Go SEA)

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