UCSF

ZINC59555069

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 16 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) 0.58 6.51 -39.89 3 3 1 54 222.308 6
Hi High (pH 8-9.5) 0.58 6.17 -4.58 2 3 0 52 221.3 6

Activity (Go SEA)

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