UCSF

ZINC37846344

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.47 5.84 -10.75 0 6 0 55 358.236 5
Lo Low (pH 4.5-6) 1.47 7.97 -46.15 1 6 1 56 359.244 5

Activity (Go SEA)

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