UCSF

ZINC02825351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 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) 5.38 11.35 -36.73 2 2 1 26 312.477 8
Hi High (pH 8-9.5) 5.38 10.1 -4.37 1 2 0 21 311.469 8

Activity (Go SEA)

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