UCSF

ZINC19775465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 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) 0.74 1.11 -40.8 5 5 1 80 238.311 5
Hi High (pH 8-9.5) 0.74 -1.29 -15.04 4 5 0 79 237.303 5

Activity (Go SEA)

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