UCSF

ZINC37261049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 4.47 6.15 -40.2 3 2 1 37 277.215 5
Mid Mid (pH 6-8) 4.47 6.88 -27.26 2 2 0 40 276.207 5

Activity (Go SEA)

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