UCSF

ZINC45965477

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 26 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) 4.06 14.93 -36.76 1 4 1 35 365.526 6
Hi High (pH 8-9.5) 4.06 12.64 -8.8 0 4 0 34 364.518 6

Activity (Go SEA)

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