UCSF

ZINC16003238

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2008 29 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) 3.94 12.39 -53.63 2 7 1 92 409.491 5
Hi High (pH 8-9.5) 4.01 9.06 -39.99 0 7 -1 97 407.475 5
Mid Mid (pH 6-8) 4.01 11.46 -52.4 1 7 0 99 408.483 5
Mid Mid (pH 6-8) 3.94 9.98 -17.04 1 7 0 91 408.483 5

Activity (Go SEA)

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