UCSF

ZINC33817754

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 22 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) -0.70 1.33 -15.95 0 8 0 84 303.322 3
Mid Mid (pH 6-8) -0.70 3.73 -52.55 1 8 1 86 304.33 3

Activity (Go SEA)

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