UCSF

ZINC34675862

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 26 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) 2.75 8.22 -11.14 2 4 0 54 349.409 7
Lo Low (pH 4.5-6) 2.75 8.68 -44.04 3 4 1 55 350.417 7

Activity (Go SEA)

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