UCSF

ZINC61757693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 21 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) 3.62 9.62 -38.09 1 4 1 34 358.3 9
Hi High (pH 8-9.5) 3.62 7.35 -7.22 0 4 0 33 357.292 9

Activity (Go SEA)

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