UCSF

ZINC00073403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 23 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) 2.81 10.19 -43.02 1 6 1 66 310.381 3
Mid Mid (pH 6-8) 2.81 7.86 -7.1 0 6 0 65 309.373 3

Activity (Go SEA)

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