UCSF

ZINC36781327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) -0.27 -1.41 -43.14 4 6 1 78 243.331 6
Hi High (pH 8-9.5) -0.27 -2.78 -9.08 3 6 0 73 242.323 6

Activity (Go SEA)

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