UCSF

ZINC37136432

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.72 2.31 -11.47 4 5 0 80 256.309 4
Lo Low (pH 4.5-6) 1.72 2.49 -39.85 5 5 1 81 257.317 4

Activity (Go SEA)

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