UCSF

ZINC37179424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.16 7.71 -52.11 2 4 1 47 259.377 4
Hi High (pH 8-9.5) 2.16 6.53 -7.3 1 4 0 42 258.369 4

Activity (Go SEA)

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