UCSF

ZINC40972545

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 38 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) 6.98 14.93 -68.33 2 6 2 71 490.522 0
Mid Mid (pH 6-8) 6.98 14.54 -36.58 1 6 1 70 489.514 0
Mid Mid (pH 6-8) 6.98 14.13 -18.74 0 6 0 69 488.506 0

Activity (Go SEA)

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