UCSF

ZINC37829075

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) 2.58 10.25 -53.66 0 4 -1 60 308.423 7
Lo Low (pH 4.5-6) 2.58 7.8 -6.99 1 4 0 58 309.431 7

Activity (Go SEA)

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