UCSF

ZINC01117914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 35 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) 4.65 12.76 -59.25 0 6 -1 79 472.492 7
Mid Mid (pH 6-8) 5.09 10.75 -30.24 1 6 0 76 473.5 6
Mid Mid (pH 6-8) 4.06 11.79 -20.08 0 6 0 73 473.5 7

Activity (Go SEA)

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