UCSF

ZINC36746554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) -0.42 0.76 -40.18 4 5 1 75 228.316 4
Hi High (pH 8-9.5) -0.42 -0.57 -11.18 3 5 0 70 227.308 4

Activity (Go SEA)

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