UCSF

ZINC34994443

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 No

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) 1.40 2.83 -60.66 2 5 1 69 365.269 5
Hi High (pH 8-9.5) 1.40 1.67 -14.96 1 5 0 65 364.261 5

Activity (Go SEA)

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