UCSF

ZINC31809378

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 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) 1.04 4.27 -14.57 1 7 0 68 290.371 6
Mid Mid (pH 6-8) 1.04 6.61 -58.05 2 7 1 69 291.379 6

Activity (Go SEA)

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