UCSF

ZINC21984806

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 23 Yes

Other Names:

MFCD07367823

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) 2.24 3.03 -53.94 2 5 -1 89 328.369 3
Hi High (pH 8-9.5) 2.24 3.82 -118.13 1 5 -2 92 327.361 3

Activity (Go SEA)

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