UCSF

ZINC37022807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 12 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) 0.76 0.61 -7.66 1 4 0 49 192.284 3
Hi High (pH 8-9.5) 0.76 0.34 -41.47 0 4 -1 51 191.276 3

Activity (Go SEA)

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