UCSF

ZINC36976818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 2.70 6.6 -40.04 3 3 1 46 261.389 3
Hi High (pH 8-9.5) 2.70 6.36 -7.21 2 3 0 41 260.381 3

Activity (Go SEA)

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