UCSF

ZINC37829817

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.21 9.45 -51.18 0 4 -1 60 260.313 5
Lo Low (pH 4.5-6) 2.21 7.44 -10.06 1 4 0 58 261.321 5

Activity (Go SEA)

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