UCSF

ZINC35738340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 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) -1.51 -0.58 -95.64 5 5 2 74 215.297 1
Hi High (pH 8-9.5) -1.51 -2.14 -38.48 4 5 1 69 214.289 1

Activity (Go SEA)

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