UCSF

ZINC52294799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 No

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) 1.77 6.42 -10.97 1 3 0 38 238.337 1
Mid Mid (pH 6-8) 2.23 5.13 -42.15 0 3 -1 41 237.329 1

Activity (Go SEA)

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