UCSF

ZINC34930369

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 4.35 11.13 -54.63 0 8 -1 105 492.577 10
Lo Low (pH 4.5-6) 4.35 10.38 -13.89 1 8 0 102 493.585 10

Activity (Go SEA)

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