UCSF

ZINC62954988

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 3.14 8.71 -33.1 1 2 1 22 238.395 3
Hi High (pH 8-9.5) 3.14 6.66 -5.17 0 2 0 20 237.387 3

Activity (Go SEA)

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