UCSF

ZINC13099128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 27 No

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) 2.20 1.78 -48.89 1 7 -1 115 378.389 3
Hi High (pH 8-9.5) 2.20 2.56 -112.69 0 7 -2 118 377.381 3

Activity (Go SEA)

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