UCSF

ZINC36203877

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 27 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) 2.93 9.21 -53.54 2 6 1 69 386.497 5
Hi High (pH 8-9.5) 3.39 6.83 -43.45 1 6 0 72 385.489 5

Activity (Go SEA)

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