UCSF

ZINC02721450

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 21 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) 3.45 -0.82 -14.65 1 4 0 46 287.407 7
Mid Mid (pH 6-8) 0.04 -0.66 -34.72 2 4 1 48 288.415 7

Activity (Go SEA)

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