UCSF

ZINC39044151

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 19 Yes

Other Names:

MFCD11519137

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) 1.63 4.42 -40.08 2 5 -1 81 267.211 2
Lo Low (pH 4.5-6) 1.63 2.53 -9.85 3 5 0 78 268.219 2

Activity (Go SEA)

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