UCSF

ZINC35320866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 19 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) -0.14 2.06 -14.08 2 6 0 67 265.361 3
Mid Mid (pH 6-8) -0.14 4.27 -50.04 3 6 1 69 266.369 3

Activity (Go SEA)

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