UCSF

ZINC19900013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 1.05 2.59 -57.08 2 4 1 64 244.336 3
Mid Mid (pH 6-8) 1.05 1.44 -12.82 1 4 0 59 243.328 3

Activity (Go SEA)

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