UCSF

ZINC08820885

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 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) 6.95 11.69 -10.66 1 6 0 73 495 8
Mid Mid (pH 6-8) 6.46 11.58 -44.79 0 6 -1 72 493.992 9

Activity (Go SEA)

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