UCSF

ZINC34944325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 2.60 5.74 -62.76 1 7 -1 93 435.5 6
Mid Mid (pH 6-8) 2.60 8.02 -73.48 2 7 0 94 436.508 6
Lo Low (pH 4.5-6) 2.60 7.14 -50.29 3 7 1 92 437.516 6

Activity (Go SEA)

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