UCSF

ZINC34526973

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 3.33 3.33 -12.7 3 7 0 101 371.418 6
Hi High (pH 8-9.5) 3.33 3.28 -43.83 2 7 -1 103 370.41 6

Activity (Go SEA)

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