UCSF

ZINC33627875

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 39 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) 5.31 15.3 -75.75 1 8 0 93 538.685 16
Hi High (pH 8-9.5) 5.31 12.77 -55.21 0 8 -1 91 537.677 16
Lo Low (pH 4.5-6) 5.31 14.01 -63.16 2 8 1 90 539.693 16

Activity (Go SEA)

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