UCSF

ZINC36976990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 0.94 -1 -9.41 4 5 0 82 250.298 3
Hi High (pH 8-9.5) 0.94 0.2 -37.89 4 5 0 89 250.298 3

Activity (Go SEA)

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