UCSF

ZINC44648974

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 0.34 3.85 -48.04 3 5 1 66 254.354 5
Hi High (pH 8-9.5) 0.34 2.49 -13.69 2 5 0 61 253.346 5

Activity (Go SEA)

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