UCSF

ZINC61957974

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2011 22 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) 4.12 8.78 -8.69 1 3 0 50 311.768 2
Hi High (pH 8-9.5) 5.02 6.71 -50.17 0 3 -1 53 310.76 2

Activity (Go SEA)

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