UCSF

ZINC35102232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) -0.08 -0.84 -18.39 3 6 0 95 253.283 3
Hi High (pH 8-9.5) 0.38 -2.78 -45.22 2 6 -1 98 252.275 3

Activity (Go SEA)

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