UCSF

ZINC33515438

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 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) 3.21 10 -46.88 1 7 0 83 440.471 8
Hi High (pH 8-9.5) 3.21 7.78 -35.9 0 7 -1 82 439.463 8
Lo Low (pH 4.5-6) 3.21 8.87 -54.14 2 7 1 81 441.479 8

Activity (Go SEA)

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