UCSF

ZINC34675971

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 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) 4.38 12.53 -16.63 1 6 0 72 479.58 9
Lo Low (pH 4.5-6) 4.38 13 -49.53 2 6 1 73 480.588 9

Activity (Go SEA)

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