UCSF

ZINC32206881

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 15 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) 3.06 5.07 -7.33 1 3 0 42 195.225 1
Hi High (pH 8-9.5) 3.06 5.08 -8.18 1 3 0 42 195.225 1
Hi High (pH 8-9.5) 3.06 5.16 -41.63 0 3 -1 40 194.217 1
Mid Mid (pH 6-8) 3.06 5.17 -6.85 1 3 0 42 195.225 1

Activity (Go SEA)

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