UCSF

ZINC66172081

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 21 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) 4.52 8.29 -48.55 2 3 1 35 327.231 7
Hi High (pH 8-9.5) 4.52 6.88 -7.36 1 3 0 30 326.223 7

Activity (Go SEA)

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