UCSF

ZINC41198121

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 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) 4.01 9.25 -35.47 2 2 1 29 305.442 4
Hi High (pH 8-9.5) 4.01 8.27 -4.88 1 2 0 25 304.434 4

Activity (Go SEA)

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