UCSF

ZINC50406194

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2010 15 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) 2.20 9.17 -10.06 1 3 0 34 225.361 5
Hi High (pH 8-9.5) 2.93 9.29 -46.96 0 3 -1 31 224.353 5

Activity (Go SEA)

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