UCSF

ZINC38780460

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 21 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) 0.02 3.96 -62.38 5 6 0 113 289.335 7
Hi High (pH 8-9.5) 0.02 3.66 -50.67 4 6 -1 111 288.327 7

Activity (Go SEA)

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