UCSF

ZINC11616943

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 23 No

CAS Number: 154039-60-8

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) 0.38 0.53 -16.45 5 8 0 128 331.413 8
Hi High (pH 8-9.5) 0.38 1.75 -55.77 4 8 -1 131 330.405 8

Activity (Go SEA)

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