UCSF

ZINC37844468

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.86 2.71 -12.93 2 6 0 70 339.193 4
Lo Low (pH 4.5-6) 1.86 3.59 -39.21 3 6 1 71 340.201 4

Activity (Go SEA)

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