UCSF

ZINC33762573

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 1.91 7.47 -50.21 1 9 -1 133 478.506 7
Lo Low (pH 4.5-6) 1.91 6.18 -24.35 2 9 0 130 479.514 7

Activity (Go SEA)

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