UCSF

ZINC34958931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 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) 0.56 -0.56 -42.31 0 5 -1 75 207.14 1
Lo Low (pH 4.5-6) 0.11 2.08 -9.46 1 5 0 72 208.148 1

Activity (Go SEA)

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