UCSF

ZINC45042822

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 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) 3.09 7.48 -42.18 2 4 1 56 266.361 5

Activity (Go SEA)

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