UCSF

ZINC19266940

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 15 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) 1.65 3.77 -45.33 3 3 1 44 211.329 6
Mid Mid (pH 6-8) 1.65 5.77 -127.01 4 3 2 45 212.337 6
Mid Mid (pH 6-8) 1.65 5.27 -29.88 3 3 1 44 211.329 6

Activity (Go SEA)

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