UCSF

ZINC33808304

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 30 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) 2.90 9.36 -59.85 0 6 -1 86 419.482 6
Lo Low (pH 4.5-6) 2.90 8.54 -16.13 1 6 0 84 420.49 6

Activity (Go SEA)

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