UCSF

ZINC37184130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 2.00 5.66 -37.85 2 3 1 29 314.247 4
Mid Mid (pH 6-8) 2.00 7.21 -33.59 2 3 1 26 314.247 4

Activity (Go SEA)

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