UCSF

ZINC32091565

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 27 Yes

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) 1.88 2.57 -162.57 8 6 3 94 390.939 9
Hi High (pH 8-9.5) 1.88 2.18 -85.57 7 6 2 92 389.931 9
Hi High (pH 8-9.5) 1.88 3.57 -43.82 6 6 1 91 388.923 9
Hi High (pH 8-9.5) 1.88 3.95 -129.64 7 6 2 92 389.931 9
Hi High (pH 8-9.5) 1.88 2.02 -119.53 7 6 2 93 389.931 9

Activity (Go SEA)

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