UCSF

ZINC34978768

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) 2.89 4.23 -41.48 3 3 1 46 336.193 6
Hi High (pH 8-9.5) 2.89 3.05 -4.62 2 3 0 41 335.185 6

Activity (Go SEA)

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