UCSF

ZINC33751824

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 32 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) 4.04 12.88 -67.45 1 6 0 74 436.552 9
Hi High (pH 8-9.5) 4.04 10.67 -54.38 0 6 -1 73 435.544 9
Lo Low (pH 4.5-6) 4.04 11.58 -53.82 2 6 1 71 437.56 9

Activity (Go SEA)

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