UCSF

ZINC06432841

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2006 29 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) 3.56 7 -70.48 1 6 -1 94 411.434 6
Mid Mid (pH 6-8) 3.56 6.93 -23.51 2 6 0 92 412.442 6

Activity (Go SEA)

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