UCSF

ZINC34493146

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 Yes

Other Names:

MFCD20427400

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) 1.78 6.8 -112.91 3 2 2 21 192.306 2
Hi High (pH 8-9.5) 1.78 3.12 -2.27 1 2 0 15 190.29 2
Hi High (pH 8-9.5) 1.78 4.39 -35.09 2 2 1 20 191.298 2

Activity (Go SEA)

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