UCSF

ZINC42110944

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 27 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) 1.97 5.61 -43.34 3 8 1 92 377.465 8
Hi High (pH 8-9.5) 2.15 4.4 -36.83 2 8 0 98 376.457 8

Activity (Go SEA)

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