UCSF

ZINC20365865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.98 4.63 -98.68 4 5 2 59 275.437 10
Hi High (pH 8-9.5) 0.98 3.53 -38.91 3 5 1 55 274.429 10

Activity (Go SEA)

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