UCSF

ZINC33759900

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 6.14 15.2 -52.31 1 6 0 74 492.66 13
Hi High (pH 8-9.5) 6.14 12.91 -43.85 0 6 -1 73 491.652 13
Lo Low (pH 4.5-6) 6.14 14.06 -47.71 2 6 1 71 493.668 13

Activity (Go SEA)

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