UCSF

ZINC45686269

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 1.86 8.29 -43.66 2 3 1 43 236.335 8
Hi High (pH 8-9.5) 1.86 7.06 -4.9 1 3 0 38 235.327 8

Activity (Go SEA)

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