UCSF

ZINC45657750

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.80 6.54 -4.38 1 2 0 21 281.446 7
Mid Mid (pH 6-8) 3.80 7.58 -35.58 2 2 1 26 282.454 7

Activity (Go SEA)

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