UCSF

ZINC34962216

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.32 5.99 -80.8 3 5 1 71 238.311 7
Hi High (pH 8-9.5) 1.32 3.82 -33.09 2 5 0 70 237.303 7

Activity (Go SEA)

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