UCSF

ZINC04276168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.72 3.91 -16.7 1 6 0 85 307.309 4
Hi High (pH 8-9.5) 2.79 1.84 -53.83 0 6 -1 91 306.301 4

Activity (Go SEA)

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