UCSF

ZINC41197973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 No

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) 2.98 6.74 -32.72 2 2 1 29 283.486 3
Mid Mid (pH 6-8) 2.98 6.19 -5.07 1 2 0 25 282.478 3

Activity (Go SEA)

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