UCSF

ZINC42771850

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 0.53 7.1 -30 1 3 0 45 239.237 6
Hi High (pH 8-9.5) 0.53 5.45 -43.46 0 3 -1 43 238.229 6

Activity (Go SEA)

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