UCSF

ZINC09334487

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 32 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) 2.76 6.5 -60.52 0 7 -1 82 435.5 7
Mid Mid (pH 6-8) 2.17 -0.64 -48.98 1 7 1 77 437.516 7
Mid Mid (pH 6-8) 2.76 8.86 -70.51 1 7 0 83 436.508 7

Activity (Go SEA)

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