UCSF

ZINC33586417

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 28 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) 2.53 9.23 -50.93 0 6 -1 86 438.257 5
Lo Low (pH 4.5-6) 2.53 7.93 -18.25 1 6 0 84 439.265 5

Activity (Go SEA)

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