UCSF

ZINC41565790

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 1.01 3.77 -42.06 2 6 1 63 306.434 8
Hi High (pH 8-9.5) 1.01 1.5 -9.04 1 6 0 61 305.426 8

Activity (Go SEA)

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