UCSF

ZINC37043252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.80 4.5 -78.9 4 5 0 97 296.392 5
Mid Mid (pH 6-8) 1.80 4.22 -50.16 3 5 -1 95 295.384 5

Activity (Go SEA)

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