UCSF

ZINC06420680

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 29 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) 3.89 11.02 -43.19 0 5 -1 74 386.427 6
Mid Mid (pH 6-8) 3.89 10.88 -12.26 1 5 0 71 387.435 6
Mid Mid (pH 6-8) 3.30 11.58 -21.7 0 5 0 68 387.435 6

Activity (Go SEA)

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