UCSF

ZINC37438332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) -0.96 2.71 -123.45 0 6 -2 96 276.17 4
Lo Low (pH 4.5-6) -1.42 3.71 -67.58 1 6 -1 93 277.178 4

Activity (Go SEA)

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