UCSF

ZINC34963061

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 2.29 8.03 -109.94 3 2 2 21 220.36 4
Mid Mid (pH 6-8) 2.29 5.81 -36.89 2 2 1 20 219.352 4
Mid Mid (pH 6-8) 2.29 6.85 -34.39 2 2 1 16 219.352 4

Activity (Go SEA)

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