UCSF

ZINC38673449

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 23 Yes

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) 3.08 6.92 -44.3 3 5 1 55 334.465 7
Hi High (pH 8-9.5) 3.08 4.68 -9.59 2 5 0 54 333.457 7

Activity (Go SEA)

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