UCSF

ZINC32002508

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 Yes

CAS Number: 1101167-56-9

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) 1.80 4.86 -10.75 1 3 0 52 169.187 1

Activity (Go SEA)

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