UCSF

ZINC37813932

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -1.12 -3.55 -41.47 7 7 1 134 257.314 6
Hi High (pH 8-9.5) -1.12 -4.03 -14.66 6 7 0 133 256.306 6

Activity (Go SEA)

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