UCSF

ZINC50053668

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 18 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) 2.84 9.16 -47 1 3 1 31 319.194 7
Hi High (pH 8-9.5) 2.84 7.02 -6.02 0 3 0 30 318.186 7

Activity (Go SEA)

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