UCSF

ZINC11362432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2007 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) 1.47 -4.28 -14.06 2 5 0 75 256.327 4
Hi High (pH 8-9.5) 1.47 -3.7 -43.33 1 5 -1 77 255.319 4

Activity (Go SEA)

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