UCSF

ZINC69809621

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) 2.12 6.71 -44.13 2 3 1 48 245.346 3
Hi High (pH 8-9.5) 2.12 4.88 -6.21 1 3 0 47 244.338 3

Activity (Go SEA)

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