UCSF

ZINC00091991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 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) -0.44 5.74 -55.61 3 6 1 100 239.251 6
Mid Mid (pH 6-8) -0.44 5.44 -11.34 2 6 0 98 238.243 6

Activity (Go SEA)

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