UCSF

ZINC31357301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 34 Yes

CAS Number: [483-17-0]

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) 3.33 10.26 -128.07 4 6 2 69 468.638 6
Hi High (pH 8-9.5) 3.33 6.93 -11.81 2 6 0 63 466.622 6

Activity (Go SEA)

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