UCSF

ZINC42805942

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 40 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) 3.48 6.72 -63.28 6 10 1 141 547.632 11
Hi High (pH 8-9.5) 3.66 4.36 -43.16 5 10 0 148 546.624 11

Activity (Go SEA)

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