UCSF

ZINC13151697

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2008 15 Yes

CAS Number: 1928-81-0

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) 1.76 7.45 -9.48 1 5 0 58 203.249 1
Lo Low (pH 4.5-6) 1.76 6.97 -30.75 2 5 1 59 204.257 1

Activity (Go SEA)

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