UCSF

ZINC31255391

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 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) 0.50 3.1 -20 2 7 0 95 303.318 2
Hi High (pH 8-9.5) 0.95 0.46 -55.81 1 7 -1 98 302.31 2

Activity (Go SEA)

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