UCSF

ZINC42090771

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 25 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) 3.55 9.18 -16.34 1 6 0 88 350.403 5
Hi High (pH 8-9.5) 3.74 7.21 -42.75 0 6 -1 94 349.395 5

Activity (Go SEA)

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