UCSF

ZINC37083003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.69 6.23 -125.71 4 3 2 45 303.244 4
Mid Mid (pH 6-8) 2.69 5.88 -28.53 3 3 1 44 302.236 4

Activity (Go SEA)

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