UCSF

ZINC70189772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 20 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) 1.80 6.11 -100.29 4 5 2 63 298.456 6
Hi High (pH 8-9.5) 1.80 3.93 -45.38 3 5 1 62 297.448 6

Activity (Go SEA)

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