UCSF

ZINC06013420

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2006 24 Yes

CAS Number: 261901-57-9

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) 2.59 5.72 -48.22 2 5 1 62 353.508 5
Hi High (pH 8-9.5) 2.59 6.49 -70.58 1 5 0 65 352.5 5

Activity (Go SEA)

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