UCSF

ZINC34527749

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) -0.58 -0.06 -7.07 4 3 0 69 219.071 2
Mid Mid (pH 6-8) -0.58 0.29 -34.03 5 3 1 71 220.079 2

Activity (Go SEA)

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