UCSF

ZINC33751873

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 3.82 11.36 -59.18 3 9 0 126 537.657 15
Hi High (pH 8-9.5) 3.82 9.05 -48.81 2 9 -1 125 536.649 15
Lo Low (pH 4.5-6) 3.82 10.22 -63.5 4 9 1 124 538.665 15

Activity (Go SEA)

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