UCSF

ZINC06294906

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 31 No

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) 2.04 6.61 -45.91 1 7 -1 103 415.425 6
Mid Mid (pH 6-8) 2.04 -1.81 -18.22 2 7 0 99 416.433 6
Mid Mid (pH 6-8) 1.46 -1.89 -27.59 1 7 0 96 416.433 6
Lo Low (pH 4.5-6) 2.04 -1.7 -55.08 3 7 1 101 417.441 6

Activity (Go SEA)

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