UCSF

ZINC37364904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 4.80 10.28 -47.52 0 3 -1 49 309.813 6
Lo Low (pH 4.5-6) 4.80 8.3 -8.17 1 3 0 47 310.821 6

Activity (Go SEA)

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