UCSF

ZINC20873623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 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) 4.84 10.98 -45.94 2 4 1 44 362.449 7
Hi High (pH 8-9.5) 4.84 9.57 -7.4 1 4 0 40 361.441 7

Activity (Go SEA)

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