UCSF

ZINC09001634

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 31 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) 6.18 9.37 -15.21 1 6 0 81 471.991 4
Mid Mid (pH 6-8) 6.18 8.74 -63.72 0 6 -1 83 470.983 4
Mid Mid (pH 6-8) 6.18 9.39 -60.76 0 6 -1 83 470.983 4

Activity (Go SEA)

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