UCSF

ZINC21809811

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.68 4.45 -30.93 2 4 -1 74 385.079 3
Mid Mid (pH 6-8) 4.68 4.4 -9.44 3 4 0 72 386.087 3

Activity (Go SEA)

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