UCSF

ZINC69708457

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 18 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) 1.08 4.75 -53.17 0 5 -1 65 249.29 3
Mid Mid (pH 6-8) 1.08 3.74 -11.1 1 5 0 63 250.298 3
Mid Mid (pH 6-8) 1.08 2.76 -30.14 1 5 0 67 250.298 3

Activity (Go SEA)

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