UCSF

ZINC34993568

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 4.51 11.04 -46.41 2 1 1 17 337.256 6
Hi High (pH 8-9.5) 4.51 9.79 -3.81 1 1 0 12 336.248 6

Activity (Go SEA)

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