UCSF

ZINC36204079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 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) 3.95 10.51 -47.29 2 4 1 50 342.488 5
Hi High (pH 8-9.5) 4.41 8.12 -40.08 1 4 0 53 341.48 5

Activity (Go SEA)

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