UCSF

ZINC16680240

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 32 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) 1.53 4.99 -17.91 1 8 0 80 436.512 7
Lo Low (pH 4.5-6) 1.53 7.29 -47.99 2 8 1 81 437.52 7

Activity (Go SEA)

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