UCSF

ZINC06691011

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 4.79 12.99 -58.06 0 4 -1 60 414.456 6
Mid Mid (pH 6-8) 4.21 12.58 -20.06 0 4 0 54 415.464 6
Mid Mid (pH 6-8) 5.24 11.54 -27.53 1 4 0 58 415.464 5

Activity (Go SEA)

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