UCSF

ZINC06294904

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 30 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) 3.18 9.61 -47.95 0 6 -1 83 406.389 6
Mid Mid (pH 6-8) 3.18 1.89 -11.57 1 6 0 79 407.397 6
Mid Mid (pH 6-8) 2.60 1.82 -16.92 0 6 0 76 407.397 6

Activity (Go SEA)

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