UCSF

ZINC33084526

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 30 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) 3.81 7.57 -40.33 2 7 1 74 408.478 6
Mid Mid (pH 6-8) 3.81 7.31 -22.32 1 7 0 73 407.47 6

Activity (Go SEA)

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