UCSF

ZINC37438490

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 17 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) -1.55 5.46 -56.3 0 6 -1 77 236.251 4
Lo Low (pH 4.5-6) -1.55 5.81 -58.61 1 6 0 78 237.259 4

Activity (Go SEA)

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