UCSF

ZINC36992046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 5.48 9.74 -47.6 2 1 1 17 319.252 4
Hi High (pH 8-9.5) 5.48 8.85 -4.22 1 1 0 12 318.244 4

Activity (Go SEA)

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