UCSF

ZINC22047004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 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) 3.13 10.04 -12.79 0 5 0 56 383.81 4
Mid Mid (pH 6-8) 3.13 10.46 -34.42 1 5 1 58 384.818 4
Mid Mid (pH 6-8) 3.13 10.96 -40.79 1 5 1 58 384.818 4
Lo Low (pH 4.5-6) 3.13 11.39 -94.46 2 5 2 59 385.826 4

Activity (Go SEA)

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