UCSF

ZINC26675221

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 22 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) 2.80 8.91 -39.16 2 4 1 51 308.442 12
Hi High (pH 8-9.5) 2.80 6.57 -8.43 1 4 0 50 307.434 12

Activity (Go SEA)

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