UCSF

ZINC39023952

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 21 Yes

CAS Number: 1272755-67-5

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) 3.39 9.3 -7.49 0 3 0 30 283.371 7
Lo Low (pH 4.5-6) 3.39 10.91 -31.69 1 3 1 31 284.379 7

Activity (Go SEA)

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