UCSF

ZINC02511923

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 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) 0.67 3.3 -54.5 3 5 1 72 238.263 5
Hi High (pH 8-9.5) 0.67 2.93 -7.25 2 5 0 71 237.255 5

Activity (Go SEA)

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