UCSF

ZINC34673960

Substance Information

In ZINC since Heavy atoms Benign functionality
September 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) 1.30 2.17 -12.95 1 5 0 66 276.336 5
Mid Mid (pH 6-8) 1.30 4.47 -47.35 2 5 1 67 277.344 5

Activity (Go SEA)

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