UCSF

ZINC44609947

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 2.62 8.46 -40.06 3 3 1 43 298.435 4
Hi High (pH 8-9.5) 2.62 6.05 -7.59 2 3 0 42 297.427 4

Activity (Go SEA)

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