UCSF

ZINC70505784

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 19 No

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) 2.68 8.63 -10.02 2 3 0 42 275.421 6
Mid Mid (pH 6-8) 2.68 9.04 -35.74 3 3 1 43 276.429 6

Activity (Go SEA)

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