UCSF

ZINC34680911

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 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) 4.00 12.26 -13.3 1 6 0 66 448.954 4
Lo Low (pH 4.5-6) 4.00 12.58 -44.77 2 6 1 67 449.962 4

Activity (Go SEA)

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