UCSF

ZINC46503402

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 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) 2.42 6.86 -40.03 2 3 1 34 267.418 5
Hi High (pH 8-9.5) 2.42 5.36 -8.01 1 3 0 32 266.41 5

Activity (Go SEA)

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