UCSF

ZINC38550883

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 30 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) 3.23 11.04 -37.13 2 7 1 73 432.614 8
Hi High (pH 8-9.5) 3.23 8.83 -12.05 1 7 0 72 431.606 8

Activity (Go SEA)

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