UCSF

ZINC00895100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 26 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) 2.90 8.04 -53.78 2 6 1 55 354.43 5
Mid Mid (pH 6-8) 2.90 5.82 -14.62 1 6 0 54 353.422 5

Activity (Go SEA)

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