UCSF

ZINC62187255

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 20 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) 0.67 4.68 -51.06 1 6 1 62 306.452 7
Hi High (pH 8-9.5) 0.67 2.21 -14.98 0 6 0 61 305.444 7

Activity (Go SEA)

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