UCSF

ZINC60459929

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.39 4.86 -37.79 2 4 1 37 254.398 5
Hi High (pH 8-9.5) 1.39 2.59 -6.99 1 4 0 36 253.39 5

Activity (Go SEA)

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