UCSF

ZINC34976042

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 2.46 3.04 -11.35 2 4 0 61 218.256 3
Lo Low (pH 4.5-6) 2.46 2.95 -24.02 3 4 1 63 219.264 3

Activity (Go SEA)

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