UCSF

ZINC45658788

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 0.61 5.92 -100.54 4 4 2 48 267.417 5
Hi High (pH 8-9.5) 0.61 3.88 -34.38 3 4 1 47 266.409 5
Hi High (pH 8-9.5) 0.61 2.26 -47.79 3 4 1 47 266.409 5
Mid Mid (pH 6-8) 0.61 4.53 -112.82 4 4 2 48 267.417 5

Activity (Go SEA)

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