UCSF

ZINC22859784

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 30 Yes

CAS Number: 345612-63-7

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) -4.21 -7.9 -110.42 10 12 2 188 430.554 8
Hi High (pH 8-9.5) -4.21 -9.67 -62.96 9 12 1 187 429.546 8
Hi High (pH 8-9.5) -4.21 -11.95 -29.77 8 12 0 185 428.538 8

Activity (Go SEA)

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