UCSF

ZINC07504994

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2006 15 Yes

Other Names:

CA-5226

MFCD20441844

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) 1.77 3.68 -8.98 2 3 0 46 204.273 2
Lo Low (pH 4.5-6) 1.77 4.29 -39.62 3 3 1 48 205.281 2

Activity (Go SEA)

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