UCSF

ZINC44018126

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 36 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) 3.85 10.49 -27.01 1 11 0 137 591.668 8
Hi High (pH 8-9.5) 3.85 11.31 -47.28 0 11 -1 140 590.66 8

Activity (Go SEA)

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