UCSF

ZINC76302342

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2012 14 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) 3.41 6.51 -43.58 3 1 1 28 257.195 4

Activity (Go SEA)

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